quercetine — etiket CAS 117-39-5

quercetine

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Chemisch reagens Kwercetyna flawonoid (CAS 117-39-5). Volledige encyclopedische kaart — classificatie, eigenschappen en veiligheidsgegevens — hieronder.

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MolGod_SDSCARD_1
REACH 2020/878
v1 · 17.07.2026
Category:
🧬 3D-molecuulvisualisator
Molecuul laden...
3D-model Quercetin, CAS 117-39-5, molecuulformule C15H10O7, molaire massa 302.23 g/mol
Chemisch overzicht: QuercetinMolGod_OVERVIEW_1
MolecuulformuleC15H10O7
Molecuulmassa302.23 g/mol
Smeltpunt317 °C
LogP (lipofiliteit)1.5
IUPAC-naam2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N

Synoniemen: quercetin · 117-39-5 · Sophoretin · Meletin · Quercetol

Gegevensbronnen: PubChem (NLM/NIH)
Laatst bijgewerkt: 2026-11-10

WETENSCHAPPELIJK ONDERZOEK

[1]EuropePMC2026
Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome.
Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.137
Ga naar het volledige onderzoek ↗
[2]EuropePMC2026
Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation.
Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of bio
Ga naar het volledige onderzoek ↗
[3]EuropePMC2026
<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation.
Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://do
Ga naar het volledige onderzoek ↗
[4]EuropePMC2026
Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis.
Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemist
Ga naar het volledige onderzoek ↗
[5]EuropePMC2026
Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control.
Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology
Ga naar het volledige onderzoek ↗
[6]EuropePMC2026
Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway.
Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.33
Ga naar het volledige onderzoek ↗
[7]EuropePMC2026
The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment.
Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical
Ga naar het volledige onderzoek ↗
[8]EuropePMC2026
Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes.
Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of t
Ga naar het volledige onderzoek ↗
📚 Wetenschappelijke referenties (Chicago Author-Date) 16 refs · 4 baz

MOLEKUŁA Bibliografie per CAS (live uit 13+ databases)

Bronnen: db:europepmc (14) · db:pubmed (1) · db:Europe PMC (1)

  1. db:europepmc Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.1371/journal.pone.0342423. →
  2. db:europepmc Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of biochemical and molecular toxicology. https://doi.org/10.1002/jbt.70855. →
  3. db:europepmc Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://doi.org/10.1155/sci5/5159975. →
  4. db:europepmc Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemistry and biophysics reports. https://doi.org/10.1016/j.bbrep.2026.102540. →
  5. db:europepmc Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology. https://doi.org/10.1167/tvst.15.4.3. →
  6. db:europepmc Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.3390/cells15060552. →
  7. db:europepmc Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical sciences. https://doi.org/10.36721/pjps.2026.39.8.226.1. →
  8. db:europepmc Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of toxicology. https://doi.org/10.1007/s00204-026-04308-z. →
  9. db:europepmc Liu, G; Kong, X; Zhao, Y; Cai, N. 2026. "Quercetin Ameliorates Comorbid Insomnia in Diarrhea-Predominant Irritable Bowel Syndrome via the PI3K/AKT/NF-κB Signaling Pathway." Biomedicines. https://doi.org/10.3390/biomedicines14030692. →
  10. db:europepmc Zhang, L; Chen, Z; Yang, M; Sun, H. 2026. "Quercetin upregulates steroid hormone biosynthesis to enhance reproductive performance in roosters." Poultry science. https://doi.org/10.1016/j.psj.2026.106590. →
  11. db:europepmc Wang, Z; Huang, J; Huang, D; An, R. 2026. "Quercetin suppresses the progression of HBV-associated hepatocellular carcinoma by modulating the EGFR signaling pathway." PloS one. https://doi.org/10.1371/journal.pone.0350584. →
  12. db:europepmc Zhai, C; Wu, Q; Yang, X; Xie, Y. 2026. "Quercetin alleviates LPS-induced inflammatory response in dairy cow lamellar keratinocytes through PI3K/Akt/NF-κB signaling pathway." BMC veterinary research. https://doi.org/10.1186/s12917-026-05300-6. →
  13. db:europepmc Naddafi, M; Udayabhaskararao, T. 2026. "Protective effects of rutin and quercetin against diazinon-induced toxicity in Wistar Rat Liver." Scientific reports. https://doi.org/10.1038/s41598-026-52967-w. →
  14. db:europepmc Hong, L; Xia, S; Chen, N; Wang, Z. 2025. "Quercetin's regulation of glucose and lipid metabolism in gestational diabetes mellitus: role of the PCSK9/LDLR axis." Nutrition & metabolism. https://doi.org/10.1186/s12986-025-01048-2. →
  15. db:pubmed Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al.. (2025). "Quercetin in Idiopathic Pulmonary Fibrosis and Its Comorbidities: Gene Regulatory Mechanisms and Therapeutic Implications.". Genes. https://doi.org/10.3390/genes16080856 →
  16. db:Europe PMC (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".
📊 Fysisch-chemische eigenschappen

Snel overzicht

Formule: C15H10O7
MW: 302.23 g/mol
CAS: 117-39-5
Uiterlijk: Yellow needles (dilute alcohol, +2 water)

Gedetailleerde eigenschappen

Eigenschap Waarde Eenheid Condities Bron
Smeltpunt (mp) 317.00 °C (602.6 °F) 1 atm
Kookpunt (bp) Sublimes (NTP, 1992) PubChem (NIH/NLM) ↗
Wateroplosbaarheid less than 1 mg/mL at 70 °F (NTP, 1992) PubChem (NIH/NLM) ↗
🔬 Geavanceerde eigenschappen

Chemische identificatoren

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
InChI: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N

Gegevensbronnen: PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)

Laatst bijgewerkt: 2026-06-14

Regelgevingsstatus van de stof
Deze stof is onderworpen aan reglementaire vereisten: beheer van gevaarlijke afvalstoffen (BDO-register). Details in de sectie "Regelgevingsstatus (REACH/ECHA/CLP)" en op de SDS. Regelgevingsinformatie — beperkt de aankoop in deze winkel niet.
🧮 StoichiometrierekenmachineMolGod_STOICH_1
🔍 Externe identificatorenMolGod_EXTID_1
14 van 16 ID-systemen88%
DatabaseIdentificatorActies
CAS Registry Number117-39-5Openen →
PubChem CID5280343Openen →
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-NOpenen →
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(…
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
EC Number204-187-1Openen →
DrugBankDB04216Openen →
KEGG CompoundC00389Openen →
HMDBHMDB0005794Openen →
ChemSpider4444051Openen →
MeSH UID (NLM)D011794Openen →
UNII (FDA)9IKM0I5T1EOpenen →
NSC Number (NCI)9219Openen →
WikiData QIDQ409478Openen →

Bronnen: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📡 Spectroscopie — CAS 117-39-5MolGod_SPECHUB_MAIN
📊 Databases met spectroscopische spectra — inline-gegevens 9 bronnen MolGod_SPECDB_2

Spectra worden op aanvraag opgehaald uit 9 bronnen. Elk spectrum wordt opgeslagen in onze database — de volgende keer openen = geen enkele aanvraag naar de externe API. Download JCAMP-DX / CSV / PNG bij elk spectrum zonder te zoeken.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
CC-BY-SA 4.0
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g
MS (MoNA) MoNA — MassBank of North America
CC-BY 4.0
▶ Klik om het spectrum te laden
🔗 Bron
— punten
📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial

Referentiebron — geen openbare API. Openen in een externe database:

🔗 IR/NMR/MS (SDBS) →
📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph Japanese Pharmacopoeia — Monographs
Reference only

Referentiebron — geen openbare API. Openen in een externe database:

🔗 JP Monograph →
📚 Japanese Pharmacopoeia 18th Edition (2021)
WHO INN WHO — International Nonproprietary Names
WHO Model Lists (free)

Referentiebron — geen openbare API. Openen in een externe database:

🔗 WHO INN →
📚 WHO INN Programme
DOAJ DOAJ — Directory of Open Access Journals
OA journal index (mixed)

Referentiebron — geen openbare API. Openen in een externe database:

🔗 DOAJ →
📚 DOAJ — doaj.org

Gegevens opgehaald via MolGod_Spectra_Remote_Fetcher (JCAMP-DX-parser) en opgeslagen in de tabel wp_molgod_spectra_cache. Geen dubbele downloads, geen herhaalde aanvragen naar NIST bij volgende openingen. Licenties worden nageleefd (alleen een deep-link plus onze eigen visualisatie wordt gepubliceerd).

🔬 Interactieve spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Gegevens worden live opgehaald uit meerdere bronnen (priority-chain). JCAMP-DX / CSV / PNG beschikbaar om te downloaden onder elk spectrum.

IR — Fourier-transform infrarood

IR — Fourier-transform infrarood wordt geladen…

MS — massaspectrometrie (EI 70eV)

MS — massaspectrometrie (EI 70eV) wordt geladen…

📐 Fysisch-chemische eigenschappen (database) 3 velden MolGod-score: Geen bron
Eigenschap Waarde Eenheid Conditions Source
Smeltpunt 317.00 °C 1 atm
Wateroplosbaarheid 0.060 g/L 25°C
logP (octanol/water) 1.500 — 25°C
📚 Wetenschappelijke referenties (Chicago Author-Date) (12 bronnen)
  1. Haynes, William M., ed. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press/Taylor & Francis. ISBN 978-1-032-55554-4. ↗
  2. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  3. Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
  4. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
  5. Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208. ↗
  6. Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243. ↗
  7. Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
  8. Mannhold, Raimund, and Han van de Waterbeemd. 2001. "Substructure and Whole Molecule Approaches for Calculating Log P." Journal of Computer-Aided Molecular Design 15 (4): 337–354. ↗
  9. Perrin, Ditlev D., Boyd Dempsey, and E. P. Serjeant. 1981. pKa Prediction for Organic Acids and Bases. London: Chapman and Hall. ISBN 0-412-21090-5.
  10. Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710. ↗
  11. Ertl, Peter, Bernhard Rohde, and Paul Selzer. 2000. "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties." Journal of Medicinal Chemistry 43 (20): 3714–3717. ↗
🔄 Omrekenaar voor concentratie-eenheden LIVE MolGod_UNITCONV_1

Voer de concentratie Quercetin in een willekeurige eenheid in — de rest wordt automatisch berekend.

MW: 302.23 g/mol · IUPAC Gold Book ↗

⚗️ Conversieformules + citaten (per formule)
ConversieFormuleNauwkeurigheidBron
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliografie (8 gezaghebbende bronnen)
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
🧪 Wizard voor het bereiden van oplossingen WIZARD MolGod_PREP_1
① Selecteer concentratie
② Doelvolume
③ Oplosmiddel

Berekeningen volgens: IUPAC Gold Book ↗, Merck ↗

Compatibiliteit met oplosmiddelenMolGod_SOLV_1

Schatting op basis van de oplosbaarheid in water en logP. Indicatieve gegevens — vervangen geen experimenteel onderzoek.

OplosmiddelCompatibiliteitOpmerkingenReferenties
Water~ MatigMatige logP
EtOH+ GoedEtOH — universeel polair oplosmiddel
Acetone+ GoedAceton — goed voor matig polaire verbindingen
DCM+ GoedDCM — goed voor apolaire verbindingen
DMSO+ GoedDMSO — sterk aprotisch oplosmiddel
THF+ GoedTHF — breed oplosbaarheidsbereik
Hexane- SlechtSlechte oplosbaarheid in hexaan
CHCl3+ GoedCHCl3 — goed voor matig polaire en apolaire verbindingen

Gegevensbronnen voor logP/oplosbaarheid: logP: 1.50

📚 Wetenschappelijke referenties voor oplosmiddelen (Chicago Author-Date) — klik om uit te klappen

Elk oplosmiddel wordt ondersteund door 5 onafhankelijke wetenschappelijke bronnen (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/GESTIS). Volledige citaties hieronder.

Water · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. International Association for the Properties of Water and Steam (IAPWS). 1997. "Release on the Static Dielectric Constant of Ordinary Water Substance." IAPWS R8-97. [link ↗]
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  4. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834. [link ↗]
  5. IFA. n.d. "Water." GESTIS Substance Database. Institut für Arbeitsschutz der Deutschen Gesetzlichen Unfallversicherung. Accessed April 25, 2026. [link ↗]
EtOH · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. https://doi.org/10.1016/B978-0-340-64578-9.X5000-9. [link ↗]
  5. IFA. n.d. "Ethanol." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Acetone · NIST CAS lookup ↗
  1. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Acetone." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DCM · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Methane, dichloro- (CAS 75-09-2)." NIST Chemistry WebBook, SRD 69. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. International Agency for Research on Cancer. 1999. "Dichloromethane." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 71: 251–315. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Dichloromethane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DMSO · NIST CAS lookup ↗
  1. Wypych, George. 2019. Handbook of Solvents. Volume 1: Properties. 3rd ed. Toronto: ChemTec Publishing. https://doi.org/10.1016/C2018-0-02235-3. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. National Institute of Standards and Technology. n.d. "Methane, sulfinylbis- (CAS 67-68-5)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  5. IFA. n.d. "Dimethyl sulfoxide." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
THF · NIST CAS lookup ↗
  1. Armarego, Wilfred L. F., and Christina Li Lin Chai. 2009. Purification of Laboratory Chemicals. 6th ed. Oxford: Butterworth-Heinemann. https://doi.org/10.1016/B978-1-85617-567-8.50003-3. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. National Institute of Standards and Technology. n.d. "Furan, tetrahydro- (CAS 109-99-9)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Tetrahydrofuran." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Hexane · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Hexane (CAS 110-54-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. [link ↗]
  4. Agency for Toxic Substances and Disease Registry. 1999. Toxicological Profile for n-Hexane. Atlanta, GA: U.S. Department of Health and Human Services. [link ↗]
  5. IFA. n.d. "n-Hexane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
CHCl3 · NIST CAS lookup ↗
  1. International Agency for Research on Cancer. 1999. "Chloroform." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 73: 131–182. [link ↗]
  2. National Institute of Standards and Technology. n.d. "Methane, trichloro- (CAS 67-66-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Chloroform." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Oplosbaarheidstheorie (toegepast bij de voorspelling van compatibiliteit):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — HSP-triplet (dD, dP, dH) + Ra-formule.
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  5. PubChem Compound Database — CAS 117-39-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Volledige bibliografie in het accordeon REFERENTIES (onderaan de pagina) — Chicago Manual of Style 17th ed., Author-Date.

🛡️ Veiligheid — CAS 117-39-5MolGod_SAFEHUB_MAIN
Mededeling over gegevensbeperkingen. De veiligheidsinformatie op deze pagina is uitsluitend ter informatie en vervangt geen volledig veiligheidsinformatieblad (SDS). Raadpleeg vóór gebruik van het product het actuele veiligheidsinformatieblad van de fabrikant en de GHS/CLP-richtlijnen. De CLP-indeling geldt voor de zuivere bulkstof, niet voor commerciële formuleringen.

GHS/CLP-indeling — Verordening (EG) nr. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Gevaar (Danger)
GHS06 — Giftig
GHS06 Giftig

🚨 Gevarenaanduidingen (H)

  • H301 — Giftig bij inslikken.

🛡 Voorzorgsmaatregelen (P)

  • P264 — Na het werken met dit product … grondig wassen.

⚠ Indeling op basis van een consensus van bronnen (PubChem / kennisgevingen van leveranciers) — niet geverifieerd tegen de geharmoniseerde indeling in bijlage VI (CLP). De omvang van de gevaren kan ruimer zijn dan de officiële indeling; verifieer vóór gebruik aan de hand van het actuele veiligheidsinformatieblad van de leverancier.

⚠ IARC — Groep 3: niet in te delen wat betreft kankerverwekkendheid voor de mens (beoordeeld door IARC). (Onafhankelijke beoordeling van het bewijs voor kankerverwekkendheid door IARC/WHO — vult de bovenstaande CLP-indeling aan.)
Referentie (Chicago): IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 117-39-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/. (Accessed 2026-11-12.)
Indeling uit de lokale MOL-GOD-lijst (snapshot) — niet geverifieerd tegen de actuele IARC-lijst. Verifiëren

Vertalingen: CLP-verordening (EG) 1272/2008, Bijlage III en IV. Gegevens: PubChem/NLM.

📚 Geconsolideerde wetenschappelijke referenties — Chicago Author-Date 10 bronnen

Referenties verzameld uit alle tabbladen van de Safety Hub. CAS: 117-39-5 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regelgeving
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Tabbladen met eigen referenties (Emergency, PPE, Storage, Waste) bevatten aanvullende bibliografische vermeldingen binnen hun respectieve secties.

📈 Analytische statistiek (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Plak een reeks herhaalde metingen (CSV of één getal per regel). De calculator berekent het gemiddelde, de standaardafwijking en 95% CI, en detecteert uitschieters (Grubbs + Dixon Q).

Scheidingsteken: komma, spatie, tab, nieuwe regel. Minimaal 3 metingen.
📐 Statistische formules
  • x̄ = Σxᵢ / n — rekenkundig gemiddelde
  • s² = Σ(xᵢ - x̄)² / (n-1) — steekproefvariantie
  • s = √s² — standaardafwijking
  • RSD% = (s / x̄) × 100% — relatieve standaardafwijking
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs-test
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Bron: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Bufferrecept-calculator UNIEK
Literatuur: pKa-waarden uit Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Kies een buffer uit de lijst van 20 populaire systemen → voer de streef-pH in → ontvang een exact recept met de af te wegen massa's.

Stap 1: Kies een buffersysteem

📜 Receptgeschiedenis (laatste 10)
🔬 HPLC/GC-methoden (3 metod)
📄
Bioinformatics based exploration of the anti-NAFLD mechanism of Wang’s empirical formula via TLR4/NF-κB/COX2 pathway
HPLCMolecular Medicine202490% ✓CC-BYResearch method (specificity, robustness)
Kolom: C18, 4 μm
Fase: Mobile phase A: water (comprising 0
Detectie: MS
Debiet: 1.00 mL/min
Temp.: 80.0 °C
Inj.: 10 μL
Gradient: of 0 min, 5% B; 10 min, 10% B; 40 min, 13% B;…
Chen S, Zhou C, Huang J, Qiao Y, Wang N, Huang Y, et al. Bioinformatics based exploration of the anti-NAFLD mechanism of Wang’s empirical formula via TLR4/NF-κB/COX2 pathway. Molecular Medicine. 2024;30:278. doi:10.1186/s10020-024-01022-3
🔗 DOI🏠 PMC📚 PubMed📄 PDF
BackgroundNonalcoholic fatty liver disease (NAFLD) has developed as a leading public wellness challenge as a result of changes in dietary patterns. Unfortunately, there is still a lack of effective pharmacotherapy methods for NAFLD. Wang’s empirical formula (WSF) has demonstrated considerable clinical efficacy in treating metabolic disorders for years. Nevertheless, the protective effect of WSF against NAFLD and its underlying mechanism remains poorly understood.MethodsThe NAFLD model was established using a 17-week high-sucrose and high-fat (HSHF) diet with 32 ICR mice. In assessing the therapeutic efficacy of WSF on NAFLD, we detected changes in body weight, viscera weight, biomarkers of glycolipid metabolism in serum and liver, transaminase levels and histopathology of liver with H&E and Oil Red O staining after oral administration. The chemical components in WSF were extensively identified and gathered utilizing the HPLC-Q-TOF/MS system, database mining from HMDB, MassBank, and TCMSP databases, alongside literature searches from CNKI, Wanfang and VIP databases. The forecast of network pharmacology approach was then utilized to investigate the probable mechanisms by which WSF improves NAFLD based on the performance of prospective target identification and pathway enrichment analysis. Besides, molecular docking was also conducted for the verification of combination activities between active components of WSF and core proteins related to NAFLD. In final, validation experiments of obtained pathways were conducted through ELISA, immunohistochemistry (IHC), and western blot (WB) analysis.ResultsPharmacodynamic outcomes indicated that WSF intervention effectively mitigated obesity, fat accumulation in organs, lipid metabolism disorders, abnormal transaminase levels and liver pathology injury in NAFLD mice (P < 0.05, 0.01). A total of 72 existent ingredients of WSF were acquired by HPLC-Q-TOF/MS and database, and 254 common targets (11.6% in total targets) of NAF...
Nonalcoholic fatty liver diseaseWang’s empirical formulaLiver inflammationHPLC-Q-TOF/MSBioinformaticsNetwork pharmacology
📄
Pharmacokinetic comparison of quercetin, isoquercitrin, and quercetin-3-O-β-D-glucuronide in rats by HPLC-MS
HPLC-MSPeerJ201995% ✓CC-BYResearch method (specificity, robustness)
Kolom: C18, 150 x 4.6 mm, 5 μm
Fase: mobile phase was composed of aqueous solution (0
Detectie: MS
Debiet: 0.80 mL/min
Temp.: 26.0 °C
Inj.: 5 μL
HPLC-MS Chromatogram💾 JCAMP📄 CSV
Yin H, Ma J, Han J, Li M, Shang J. Pharmacokinetic comparison of quercetin, isoquercitrin, and quercetin-3-O-β-D-glucuronide in rats by HPLC-MS. PeerJ. 2019;7:e6665. doi:10.7717/peerj.6665
🔗 DOI🏠 PMC📚 PubMed📄 PDF
BackgroundQuercetin (Qr), isoquercitrin (IQ), and quercetin-3-O-β-D-glucuronide (QG) are powerful phytochemicals that have been shown to exhibit disease prevention and health promotion properties. However, there may exist transformations between Qr, IQ, and QG in vivo. And the pharmacokinetic profiles of Qr, IQ, and QG have not been systematically compared. The pharmacokinetics study would be helpful to better understand the pharmacological actions of them.MethodsHerein, we developed a reliable HPLC-MS method to compare the pharmacokinetics of Qr, IQ, and QG after separate (50 mg/kg) oral administration of them in rats, using puerarin as internal standard. The detection was performed using negative selected ion monitoring. This method was validated in terms of selectivity, linearity, precision, accuracy, extraction recovery, matrix effect, and stability; and shows reliabilities in monitoring the pharmacokinetic behaviors of these three compounds.ResultsOur results showed that after separate oral administration of Qr, IQ, and QG, all of the compounds could be detected in plasma. In addition, QG could be detected in the Qr group; Qr and QG could be measured in the IQ group; and Qr could be found in rat plasma after 1.5 h of QG administration. Moreover, the AUC0−t of Qr in the; Qr group (2,590.5 ± 987.9 mg/L*min), IQ group (2,212.7 ± 914.1 mg/L*min), and QG group (3,505.7 ± 1,565.0 mg/L*min) was larger than the AUC0−t of QG in the; Qr group (1,550.0 ± 454.2 mg/L*min), IQ group (669.3 ± 188.3 mg/L*min), and QG group (962.7 ± 602.3 mg/L*min). The AUC0−t of IQ was the lowest among all groups.DiscussionQuercetin, IQ, and QG can all be absorbed into plasma. A mutual transformation exists between Qr and QG, and IQ can be metabolized into Qr and QG in SD rats. These results would provide a meaningful basis for understanding the pharmacological actions of these three compounds.
PharmacokineticBiotransformationQuercetinIsoquercitrinQuercetin-3-O-β-D-glucuronide
📄
Pharmacodynamic Material Basis of the Components of Four Epimedium Species with Activities Against Hepatocellular Carcinoma Based on Biological Target Networks and Multi-Omics Analysis
HPLCJournal of Hepatocellular Carcinoma202693% ✓CC-BY-NCResearch method (specificity, robustness)
Kolom: C18, 150 x 2.1 mm, 1.8 μm
Fase: mobile phases were a 0
Detectie: MS
Debiet: 0.30 mL/min
Temp.: 35.0 °C
Inj.: 5.00 μL
Gradient: is shown in Table 1
Liao X, Liu J, Pang Z, Li X, Jiang D, Wang J, et al. Pharmacodynamic Material Basis of the Components of Four Epimedium Species with Activities Against Hepatocellular Carcinoma Based on Biological Target Networks and Multi-Omics Analysis. Journal of Hepatocellular Carcinoma. 2026;13:578719. doi:10.2147/JHC.S578719
🔗 DOI🏠 PMC📚 PubMed📄 PDF
AimEpimedium plants are used in traditional Chinese medicine due to their medicinal properties and can be clinically used for the treatment of liver cancer.Using network pharmacology and HPLC, we identified a key anti-HCC complex, CMPLX (containing icariin and kaempferol), from four Epimedium species. In vitro and in vivo studies demonstrated that CMPLX suppresses HCC proliferation by downregulating p-Akt, p-PI3K, and Bcl-2 expression. Untargeted metabolomics and gut microbiome analysis revealed significant negative correlations between serum levels of lignin/kaempferol derivatives and Escherichia coli abundance. These findings highlight CMPLX as a promising candidate for HCC drug development.PurposeInvestigate the pharmacodynamic material basis of the components of four Epimedium species with activities against hepatocellular carcinoma based on biological target networks and multi-omics analysis.Materials and MethodsWe first screened four Epimedium extracts for anti-HCC activity using HepG2 cells. Shared bioactive compounds were identified through network pharmacology and HPLC, defining core target AKT1 and key complex CMPLX (icariin and kaempferol). Molecular docking/dynamics simulations confirmed CMPLX-AKT1 binding. In vitro assays (CCK-8, wound healing, colony formation, Annexin V/PI, Western blot) demonstrated CMPLX inhibits proliferation, migration, and induces apoptosis via PI3K/AKT/Bcl-2 pathway. In vivo validation in H22 tumor-bearing mice showed tumor suppression, corroborated by histology, serum metabolomics and gut microbiota analysis.ResultsCMPLX suppressed hepatocellular carcinoma proliferation in vitro and in vivo. Mechanistically, it downregulated p-Akt, p-PI3K, and Bcl-2 expression, inhibiting growth and promoting apoptosis in HepG2 cells. Integrated multi-omics revealed CMPLX treatment elevated flavonoid/kaempferol derivatives while reducing Enterobacteriaceae_A/Escherichia abundance, with Marinifilaceae dominating the gut microbiota. Crucially, li...
hepatocellular carcinomametabolomicsgut microbiota
📈 Methodevalidatie (ICH Q2)

Geen validatiegegevens. Neem contact op met de auteur van de methode.

Parameters volgens: ICH Q2(R2) ↗

📋 Methodevergelijking
Techniek Kolom Analysetijd Detectie Mobiele fase Bron
HPLC C18 — MS Mobile phase A: water (comprising 0 DOI ↗
HPLC-MS C18 — MS mobile phase was composed of aqueous solution (0 DOI ↗
HPLC C18 — MS mobile phases were a 0 DOI ↗
🔧 Probleemoplossing HPLC/GC
Brede pieken / tailing
Oorzaken: Versleten kolom, verkeerde pH van de mobiele fase, kolomoverbelasting, dood volume
Oplossing: Vervang de kolom, controleer de buffer-pH (±0.2), verlaag het injectievolume, controleer de verbindingen
Basislijndrift
Oorzaken: Verontreinigde mobiele fase, gradiëntproblemen, onstabiele temperatuur
Oplossing: Ontgas de fase, filtreer 0.22 µm, stabiliseer de kolomtemperatuur, spoel het systeem
Geen piek
Oorzaken: Verkeerde golflengte, stof elueert niet, thermische ontleding, verkeerde fase
Oplossing: Controleer λmax, verleng de gradiënt, verlaag de temperatuur, wijzig de mobiele fase
Spookpieken (ghost peaks)
Oorzaken: Systeemverontreiniging, carry-over, verontreinigde vials
Oplossing: Reinig het systeem (MeOH/H₂O), gebruik nieuwe vials, injecteer een blanco
Lage terugvinding
Oorzaken: Adsorptie aan de wanden, onvoldoende extractie, ontleding
Oplossing: Voeg IS toe, silaniseer glaswerk, optimaliseer de extractie, controleer de stabiliteit

Bronnen: Snyder, Kirkland & Dolan ↗, Waters ↗

📊 Validatie van de HPLC-methode (ICH Q2(R1)) PARTIAL

3 metrics need experimental data

Parameter Waarde Eenheid ICH Q2-criterium Status
Lineariteit (R²) geen gegevens unitless R² ≥ 0.999 (≥0.99 voor bioanalytische methoden) —
LOD (S/N = 3:1) geen gegevens ng/mL S/N ≥ 3:1 (laagste detecteerbare concentratie) —
LOQ (S/N = 10:1) geen gegevens ng/mL S/N ≥ 10:1 (LOQ ≥ 3×LOD doorgaans) —
Precisie (RSD intraday, n=6) geen gegevens % RSD RSD ≤ 2% (intraday) / ≤ 3% (interday) voor de API —
Juistheid (recovery, 3 niveaus) geen gegevens % (target 100±2%) Recovery 98-102% (target 100%) —
Lineariteitsbereik geen gegevens bijv. 0.1-100 ng/mL Min. 80-120% van de nominale concentratie —
Selectiviteit/Specificiteit geen gegevens qualitative Geen interferentie — analytpiek volledig gescheiden (Rs ≥ 2.0) —
Robuustheid (robustness) geen gegevens RSD < 2% bij ±5% variatie RSD < 2% bij kleine parametervariaties —
Legend: ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 Wetenschappelijke referenties (Chicago Author-Date) — klik om uit te klappen

Standaarden voor validatie van analytische methoden — 4 onafhankelijke bronnen (ICH + USP + AOAC + Snyder).

  1. International Conference on Harmonisation (ICH). 2005. Validation of Analytical Procedures: Text and Methodology Q2(R1). ICH Expert Working Group. [link ↗] — Gold-standard ICH guideline — accepted by EMA, FDA, MHLW, NMPA
  2. United States Pharmacopeia (USP) Convention. 2024. USP General Chapter <621> Chromatography. USP-NF 2024 ed. USP. [link ↗]
  3. AOAC International. 2016. Appendix F: Guidelines for Standard Method Performance Requirements. AOAC INTERNATIONAL. [link ↗] — AOAC SMPR — alternative to ICH Q2 for food/dietary supplements
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Industry standard textbook — Chapter 11 covers method validation
  5. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Classic method-development reference (DryLab heritage).
  6. Rozet, Eric, et al.. 2013. Analysis of recent pharmaceutical regulatory documents on analytical method validation. https://doi.org/10.1016/j.chroma.2007.03.111 [link ↗] — Comparison of FDA / EMA / ICH validation expectations — used for ICH Q2(R1) interpretation.
  7. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — Plackett-Burman design for robustness — basis of ICH Q2 §3.7.
  8. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Modern (UHPLC) update of validation chapter — practical RSD/LOD examples.
  9. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — European pharmacopeial perspective — complements USP/AOAC.
  10. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. HPLC for Pharmaceutical Scientists. Wiley-Interscience. ISBN 978-0-471-68162-4. https://doi.org/10.1002/9780470087954 [link ↗] — Pharma-focused validation case studies (specificity, robustness).
  11. European Medicines Agency (EMA). 2011. Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009. EMA Committee for Medicinal Products for Human Use. [link ↗] — EMA bioanalytical companion to ICH Q2(R1) for clinical samples.

· ⚠ Regelgevende waarschuwingen SVHC/REACH ↑

🔧 HPLC-troubleshooting — beslissingsboom 6 veelvoorkomende problemen

Diagnostiek van de 12 meest voorkomende HPLC-problemen met een beslissingsboom (5 stappen per probleem). Bron: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

Verbrede pieken (broad peaks) medium

Symptoom: Alle pieken op het chromatogram zijn breder dan verwacht (FWHM > 2× normaal)

🔍 Diagnostische boom:
  1. 1. Controleer of alle pieken verbreed zijn of slechts sommige
    → JA: Alle → instrumenteel probleem (kolom of systeem)
    → NEE: Slechts sommige → chemisch probleem (interactie met de kolom voor specifieke analyten)
  2. 2. Verwissel met een testkolom — verdwijnt het probleem?
    → JA: KOLOM versleten — packing beschadigd, void in de eerste mm. Vervang hem.
    → NEE: Probleem in het LC-systeem
  3. 3. Controleer het dode volume (dead volume) — injectielus, verbindingen, detector
    → JA: Lus > 100 µL voor een 4.6 mm kolom of losse verbindingen → vervang de ferrules, kort de leidingen in
    → NEE: Diagnostiek voortzetten
  4. 4. Temperatuurtest: verhoog de kolom van 25°C naar 40°C
    → JA: Smallere pieken → massatransferkinetiek te traag (verhoog T)
    → NEE: Continue
  5. 5. Controleer het debiet t.o.v. het van Deemter-optimum voor deze kolom
    → JA: Optimum voor 4.6mm/5µm = 1.0 mL/min, voor 2.1mm/3µm = 0.4 mL/min
    → NEE: Continue
⚠️ Typische oorzaken:
  • Kolom versleten (>2000 injecties zonder voorkolom)
  • Dood volume van het systeem > 100 µL (verkeerde lus, lange leidingen, losse ferrules)
  • Temperatuur te laag (massatransferkinetiek)
  • Debiet buiten het van Deemter-optimum
  • Monsteroplosmiddel sterker dan mobiele fase A
✓ Oplossingen:
  • ✓ Vervang de kolom (bij >2000 injecties)
  • ✓ Controleer alle verbindingen — houd de leidingen zo kort mogelijk
  • ✓ Verhoog de kolomtemperatuur naar 40°C (als de stof stabiel is)
  • ✓ Verlaag het debiet naar het van Deemter-optimum
  • ✓ Los het monster op in mobiele fase A (niet in puur organisch)
Piektailing (tailing, T > 1.5) high

Symptoom: Pieken hebben een verlengde "staart" aan de late-elutiezijde (asymmetrie T = b/a > 1.5 volgens USP)

🔍 Diagnostische boom:
  1. 1. Bevat de stof basische groepen (amino, pyridine)?
    → JA: Ja → silanolinteracties! Voeg 0.1% TFA of 5-10 mM TEA toe aan mobiele fase A.
    → NEE: Continue
  2. 2. Controleer de pH van de mobiele fase t.o.v. de pKa van de stof
    → JA: pH = pKa ± 1 → gedeeltelijke ionisatie, peak split. Verplaats de pH ≥ 2 eenheden weg van de pKa.
    → NEE: Continue
  3. 3. Controleer de leeftijd van de kolom (>1500 injecties?)
    → JA: Ja → blootgelegde silanolen (column bleed). Vervang door een kolom met hogere endcapping (XTerra, Symmetry).
    → NEE: Continue
  4. 4. Bevat het monster metalen (Fe, Cu uit glazen flesjes)?
    → JA: Ja → gebruik kleurloze type II-flesjes of PFA. Voeg 0.1mM EDTA toe aan het monster.
    → NEE: Continue
⚠️ Typische oorzaken:
  • Silanolinteracties (basische analyt + vrije silanolen van silicagel)
  • pH op de grens van de pKa van de analyt (peak split)
  • Oude kolom (column bleed, hoge silanolactiviteit)
  • Metalen in het monster (chelatie → tailing)
  • Kolomoverbelasting (>50 µg op een 4.6mm kolom)
✓ Oplossingen:
  • ✓ Voeg 0.1% TFA (UV) of 0.1% mierenzuur (LC-MS) toe aan mobiele fase A
  • ✓ Kies een kolom met hoogzuivere endcapping: Waters XBridge BEH, Phenomenex Kinetex
  • ✓ Werk bij een pH ≥ 2 eenheden weg van de pKa
  • ✓ 0.1mM EDTA aan het monster (Fe/Cu-chelatie)
  • ✓ Verlaag het injectievolume naar ≤ 20 µL voor een 4.6mm kolom
Basislijndrift (baseline drift) medium

Symptoom: De basislijn stijgt of daalt systematisch gedurende >5 minuten

🔍 Diagnostische boom:
  1. 1. Gebruik je een gradiënt (B% neemt toe)?
    → JA: Ja → verschillende absorptie van fasen A vs B bij dλ. Oplosmiddelwisseling in de UV-cutoff. Controleer de UV-absorptie van het % organisch.
    → NEE: Verder (isocratisch)
  2. 2. Controleer de kolomtemperatuur — is deze stabiel tot ±0.5°C?
    → JA: Ja (stabiel) → verder
    → NEE: Instabiel → schakel de kolomthermostaat in (>25°C gecontroleerd)
  3. 3. Test: schakel de autosampler uit, laat alleen pomp+kolom+detector draaien
    → JA: De drift verdwijnt → contaminatie van de autosampler (reinig de naald, het septum)
    → NEE: Continue
  4. 4. Controleer de leeftijd van de lamp (D2 voor UV)
    → JA: Ja (>1500 uur) → vervang de lamp
    → NEE: Continue
⚠️ Typische oorzaken:
  • Gradiëntelutie met verschillende UV-cutoff van de fasen
  • Instabiele kolomtemperatuur
  • Autosampler-contaminatie van de naald/septum
  • UV-lamp oud (>1500h)
  • Detector-flowcel vervuild
  • Kolom niet geëquilibreerd (<10 kolomvolumes)
✓ Oplossingen:
  • ✓ Kolom voor-equilibreren gedurende 10-15 kolomvolumes bij 100% A
  • ✓ Kolomthermostaat aan, T 30-40°C stabiel
  • ✓ Reinig de detector-flowcel met een 50:50 ACN:H2O-oplossing
  • ✓ Vervang de D2-lamp indien >1500h
  • ✓ Gebruik baseline subtraction (Chromeleon, native Empower-functie)
Geen piek / verloren piek (no peak) critical

Symptoom: De verwachte analytpiek verschijnt niet op het chromatogram

🔍 Diagnostische boom:
  1. 1. Heeft de injectie daadwerkelijk plaatsgevonden?
    → JA: Controleer het autosampler-log, de pompdruk (moet dalen tijdens de injectie)
    → NEE: Autosampler-probleem → controleer de loop, de naald, het monster in de vial
  2. 2. Zit het monster in de vial (correct volume, niet verdampt)?
    → JA: Continue
    → NEE: Geen monster — opnieuw pipetteren
  3. 3. Monsterstabiliteit — >24h geleden bereid?
    → JA: Ja → degradatie. Bereid een vers monster opnieuw.
    → NEE: Continue
  4. 4. Controleer de detectiegolflengte t.o.v. de λmax van de stof
    → JA: Detectie bij λ komt NIET overeen met λmax → geen signaal. Scan DAD 200-400nm.
    → NEE: Continue
  5. 5. Test: injecteer een zuivere standaard (van bekende concentratie, vers)
    → JA: De standaard geeft een piek → probleem met het monster (matrix, derivatisering)
    → NEE: Ook geen piek met de standaard → systeemprobleem (kolom, fase, gradiënt)
⚠️ Typische oorzaken:
  • Monster niet uit de vial genomen (autosampler-bug)
  • Monster gedegradeerd (>24h pH/temp/licht)
  • Detectie bij de verkeerde golflengte
  • Verkeerde mobiele fase (bijv. vergeten TFA)
  • Kolom omgekeerd / verkeerde stationaire fase
  • De stof elueert op het front (V0) → niet vastgehouden, niet zichtbaar
✓ Oplossingen:
  • ✓ Bereid een vers monster opnieuw volgens het exacte protocol
  • ✓ UV-Vis DAD-scan 200-400nm + zoeken naar λmax
  • ✓ Controleer de samenstelling van de mobiele fase — is TFA toegevoegd?
  • ✓ Test de omgekeerde kolomrichting (voorzichtig!)
  • ✓ Voor retentie <1 min — verlaag de % B, MeOH in plaats van ACN
  • ✓ Controleer de tabel "expected_rt" in wp_molgod_hplc_methods
Druk te hoog (pressure too high) critical

Symptoom: Pompdruk > 80% van het kolommaximum of systeem-shutdown met high-pressure error

🔍 Diagnostische boom:
  1. 1. Controleer of de kolom correct is aangesloten (richting van de pijl)
    → JA: OK
    → NEE: Kolom omgekeerd → draai om (nooit "achterstevoren" gebruiken)
  2. 2. Test: verwijder de kolom uit het systeem, laat alleen pomp+detector draaien
    → JA: Druk daalt naar <50 bar → probleem in de kolom (verstopt)
    → NEE: Druk blijft hoog → in-line filter verstopt, frit vervuild
  3. 3. Controleer het pre-kolomfilter (in-line frit)
    → JA: Vervuild en bruin → vervangen
    → NEE: Continue
  4. 4. Spoel de kolom terug met 50:50 ACN:H2O zonder de kolom — verdwijnt het?
    → JA: Deeltjes vast in de eerste mm — een flush van 30 min kan het herstellen
    → NEE: Vervang de kolom
⚠️ Typische oorzaken:
  • In-line filter (frit) verstopt met deeltjes
  • Buffer salting-out (precipitatie bij hoog %B)
  • Monster bevat zwevende deeltjes (filtreer 0.22 µm vóór injectie)
  • Kolom verstopt (column bed compaction)
  • Gradiënt met bufferfase + veel organisch → zoutprecipitatie
✓ Oplossingen:
  • ✓ Filtreer het monster ALTIJD door 0.22 µm PVDF vóór injectie
  • ✓ Vervang het in-line filter elke 100 injecties (of wanneer de druk >20% stijgt)
  • ✓ Gebruik GEEN >20mM fosfaatbuffer + >70% ACN (het zout slaat neer)
  • ✓ Spoel de kolom 30 min met 50:50 ACN:H2O in de omgekeerde richting (wanneer de fabrikant dit toestaat)
  • ✓ Pre-kolom 4×3mm ter bescherming van de hoofdkolom
Spookpieken (ghost peaks) high

Symptoom: Onverklaarde pieken op het chromatogram die afwezig zijn in de kalibratie

🔍 Diagnostische boom:
  1. 1. Test: blanco injectie (zuiver monsteroplosmiddel)
    → JA: Er verschijnt een spookpiek → contaminatie van het systeem of de eluenten
    → NEE: Verschijnt alleen bij het monster → matrix
  2. 2. Groeit de spookpiek met de gradiënt (elueert bij hoog %B)?
    → JA: Ja → overladen kolom of sterk vastgehouden uit een vorige run
    → NEE: Onafhankelijk van de gradiënt → autosampler carryover
  3. 3. Increase carryover wash (between injections)
    → JA: Helpt → carryover was de oorzaak. Sterker wasprotocol.
    → NEE: Continue
  4. 4. Injectie van zuiver water — is er een piek?
    → JA: Ja → contaminatie van de waterbron (organische stoffen uit het DI-systeem)
    → NEE: Continue
⚠️ Typische oorzaken:
  • Carryover in de autosampler-naald/loop
  • Contaminatie van het eluens (zelfs HPLC-grade)
  • Sterk vastgehouden componenten uit vorige runs
  • Plastic in de vials (ftalaten, PEG uit de doppen)
  • DI-water onvoldoende gezuiverd
✓ Oplossingen:
  • ✓ Versterk het wasprotocol: 100% B → 100% A → 50:50 (3 cycli)
  • ✓ Sterke was: 100% DMSO of 100% MeOH vóór de kalibratie
  • ✓ Filtreer de eluenten door 0.22 µm PTFE bij twijfel
  • ✓ Gebruik amberkleurig glas + doppen met Teflon-coating voor monsters
  • ✓ Periodieke gradiëntramp naar 100% B gedurende 10 min (clean-out)
📚 Wetenschappelijke referenties (Chicago Author-Date) — klik om uit te klappen
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. Chapter 17 (Troubleshooting) pp. 559-616. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗]
  2. Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
  3. Kromidas, Stavros. 2017. HPLC Made to Measure: A Practical Handbook for Optimization. 2nd ed. Wiley-VCH. ISBN 978-3-527-31377-1. — Praktyczny przewodnik problem-solving dla labs analitycznych
  4. Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
  5. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Chapter 9 covers troubleshooting modern UHPLC systems (sub-2 µm particles).
  6. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — Solid step-by-step problem isolation chapter (eluents, columns, instruments).
  7. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Method-development companion volume with troubleshooting cross-refs.
  8. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗] — Theoretical basis for diagnosing efficiency losses (mass-transfer, eddy diffusion).
  9. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. 2120-2129. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — How to diagnose method failures vs. system failures (Plackett-Burman).
  10. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5. — Historical context for ghost-peak phenomenology (silica chemistry).
  11. Stoll, Dwight R., and Peter W. Carr. 2017. Two-Dimensional Liquid Chromatography: A State of the Art Tutorial. 519-531. https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations. 1167-1182. https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. Probabilistic approach to peak deconvolution in chromatography. 8525-8531. https://doi.org/10.1021/ac101742z [link ↗]
🧪 Oplosbaarheid en compatibiliteit met oplosmiddelen MolGod_SOLUB_1
Molecuul
Quercetin
Formule
C15H10O7
logP
1.50
Massa (g/mol)
302.23
Polariteit
Matig

⚠️ GC-schatting (Hoftyzer–Van Krevelen). Geen HSP-literatuurgegevens voor deze CAS — nauwkeurigheid ±2 MPa½. Experimenteel verifiëren.

Oplosmiddel Compat. Ra Visueel GC-MS HPLC Toepassingen Referenties
Water (H₂O)− Slecht38.9
✗ NieA (aqueous) (RP)
buffercelkweekanalytischextractie (hydrofiel)
Ethanol (EtOH)− Slecht16.2
✗ NieA/B modifier (RP/NP)
extractiespectroscopie (UV-Vis)syntheseHPLC-modifier
Methanol (MeOH)− Slecht19.6
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone~ Gem.10.4
✗ NieB modifier (NP)
GC headspacekristallisatieontvettingsynthese
Acetonitrile (ACN)− Slecht16.7
✗ NieB (RP) (RP)
HPLC-eluens (gouden standaard)LC-MS (wolny cut-off UV 190 nm)peptideanalyse
DMSO− Slecht19.1
✗ NieN/A (N/A)
NMR (d6-DMSO)celbiologie (cryopreservatie)medicijnafgiftesynthese
THF~ Gem.10.2
✗ NieB (NP) (NP)
GPC/SEC (polymeeranalyse)Grignard-syntheseorganometaalverbindingen
DCM (CH₂Cl₂)− Slecht12.9
✓ TakB (NP) (NP)
extractieNP-HPLCGC-MSkristallisatie (antisolvent)
Chloroform (CHCl₃)~ Gem.11.6
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipide-extractie (Folch-methode)NP-TLC
Hexane~ Gem.9.0
✓ TakA (NP) (NP)
NP-HPLColie-extractie (lipiden)GC-MSTLC (NP)
Toluene− Slecht12.8
✓ TakB (NP) (NP)
NMR (d8-toluene)syntheseDean-Stark azeotrope droging
📚 Wetenschappelijke referenties voor oplosmiddelen (Chicago Author-Date) — klik om uit te vouwen

11 oplosmiddelen × 5 onafhankelijke wetenschappelijke bronnen (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS). 55+ volledige citaties hieronder.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Oplosbaarheidstheorie (toegepast bij de voorspelling van compatibiliteit):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP-triplet (dD, dP, dH) + Ra-formule.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Volledige tabellarische set van 250+ oplosmiddelen (ε, μ, doniciteit, acceptorgetallen).
  8. PubChem Compound Database — CAS 117-39-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Volledige bibliografie in het accordeon REFERENTIES (onderaan de pagina) — Chicago Manual of Style 17th ed., Author-Date.

📚 Technische FAQ — Quercetin (5) MolGod_TECHFAQ_1
❓ Jak przygotować roztwór standardowy kwercetyny o stężeniu 1 mg/mL?
Aby przygotować roztwór standardowy kwercetyny (CAS 117-39-5) o stężeniu 1 mg/mL, należy odważyć 0.001 g substancji (ponieważ masa molowa wynosi 302.23 g/mol, a wymagane stężenie to 1 mg/mL = 0.001 g/mL). Następnie rozpuścić odważoną ilość kwercetyny w 1 mL rozpuszczalnika (np. metanolu lub wody dejonizowanej) i uzupełnić do objętości 1 mL, jeśli to konieczne. Roztwór należy przechowywać zgodnie z zaleceniami dotyczącymi przechowywania kwercetyny.
Nuttig?
❓ W jakich warunkach należy przechowywać kwercetynę (CAS 117-39-5)?
Kwercetynę należy przechowywać w temperaturze 2-8°C, chroniąc przed światłem (najlepiej w ciemnej butelce) i wilgocią. Wilgotność względna powietrza nie powinna przekraczać 65%. Substancja jest higroskopijna, dlatego ważne jest szczelne zamknięcie pojemnika.
Nuttig?
❓ Jaka metoda analityczna jest zalecana do oznaczania czystości kwercetyny (CAS 117-39-5)?
Ze względu na masę molową (302.23 g/mol) i prawdopodobnie umiarkowaną lotność, zalecana jest metoda HPLC (High Performance Liquid Chromatography) z detektorem UV lub spektrometrią mas (MS). LogP kwercetyny nie jest podany, ale jej polarność sugeruje, że HPLC będzie odpowiednia. Kolumna odwróconofazowa (np. C18) i eluent na bazie wody/metanolu są typowe dla tej metody.
Nuttig?
❓ Z jakimi substancjami kwercetyna (CAS 117-39-5) może reagować niepożądanie?
Kwercetyna jest wrażliwa na utlenianie i hydrolizę. Może reagować z silnymi kwasami (np. HCl) lub zasadami (np. NaOH), prowadząc do degradacji. Nie należy jej przechowywać w obecności reduktorów (np. DMSO) ani utleniaczy (np. KMnO4). Zaleca się unikanie kontaktu z wilgocią, która może przyspieszyć hydrolizę.
Nuttig?
❓ W jakim celu kwercetyna (CAS 117-39-5) jest stosowana w laboratoriach chemicznych?
Kwercetyna jest używana jako standard w analizie fitochemicznej, np. do oznaczania zawartości flawonoidów w ekstraktach roślinnych. Stosuje się ją również w badaniach biologicznych jako związek modelowy o właściwościach przeciwutleniających i przeciwzapalnych. W syntezie chemicznej może służyć jako substrat do otrzymywania pochodnych flawonoidowych.
Nuttig?
🧮 Laboratoriumcalculators (8) MolGod_LABCALC_1
Verdunning (C₁V₁=C₂V₂)
Molariteit (M=n/V)
pH-buffer (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Massa → Mol
Concentratie % → M
ppm → mg/L
Temperatuur C↔F↔K

Geverifieerde formules: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopische spectradatabases MolGod_SPECDB_3
📋 Generator van laboratoriumprotocollen MolGod_PROTOCOL_1

Protocol gegenereerd op basis van: GHS SDS, Aldrich Lab Guide ↗

🏷️ Etikettengenerator (QR) MolGod_LABEL_1
Quercetine• quercetin• CAS: 117-39-5• Formule: C15H10O7• Massa: 302.23 g/molGEVAARGHS-GEVARENAANDUIDINGEN:H301: Giftig bij inslikken.P264: Na het werken met dit product … grondig wassen.Uitsluitend voor laboratoriumgebruik!DH ScientificScience first. Commerce as consequence.Batchnr.: Nettogewicht: Prod.:
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📚 Overzicht van de wetenschappelijke literatuur — CAS 117-39-5MolGod_LITHUB_MAIN
⭐ Belangrijkste bevindingen (wetenschappelijke literatuur) 20 publicaties
🏆 CAS 117-39-5 — multi-criteria ranking (W12): 30% citaties · 20% recentheid · 20% onderwerp · 15% historisch · 15% open access.
  1. #1
    Dong Wu Xu, Meng-Jiao Hu, Yan-Qiu Wang et al. (2019) · Molecules
    Waarom het belangrijk is: Grote impact (1362 citaties) · overzichtsartikel · open access
    SCORE 16.6 Overzicht Citaties: 1362 Open Access DOI ↗
  2. #2
    Li Y, Yao J, Han C et al. (2016) · Nutrients
    Waarom het belangrijk is: Grote impact (2125 citaties) · overzichtsartikel · open access
    SCORE 16.28 Overzicht Citaties: 2125 Open Access DOI ↗ PubMed ↗
  3. #3
    Fatemeh Aghababaei, Milad Hadidi (2023) · Pharmaceuticals
    Waarom het belangrijk is: 732 citaties · recent (2023) · overzichtsartikel · open access
    SCORE 14.75 Overzicht Citaties: 732 Open Access DOI ↗
  4. #4
    Eber Josue Carrillo-Martinez, F. Hernández, Adriana María Salazar-Montes et al. (2024) · Molecules
    Waarom het belangrijk is: 331 citaties · recent (2024) · overzichtsartikel · open access
    SCORE 13.81 Overzicht Citaties: 331 Open Access DOI ↗
  5. #5
    Haroon Zaman Khan, Hammad Ullah, Michael Aschner et al. (2019) · Biomolecules
    Waarom het belangrijk is: 563 citaties · overzichtsartikel · open access
    SCORE 13.2 Overzicht Citaties: 563 Open Access DOI ↗
  6. #6
    Mahmoud Hashemzaei, Amin Delarami Far, Arezoo Yari et al. (2017) · Oncology Reports
    Waarom het belangrijk is: 546 citaties · open access
    SCORE 12.56 Mechanisme Citaties: 546 Open Access DOI ↗
  7. #7
    Dharambir Kashyap, Vivek Kumar Garg, Hardeep Singh Tuli et al. (2019) · Biomolecules
    Waarom het belangrijk is: 290 citaties · overzichtsartikel · open access
    SCORE 12.34 Overzicht Citaties: 290 Open Access DOI ↗
  8. #8
    Han X; Xu T; Fang Q et al. (2021) · Redox biology
    Waarom het belangrijk is: Verplicht citaat (canon) · 398 citaties
    SCORE 11.1 Mechanisme MUST-CITE Citaties: 398 DOI ↗
  9. #9
    Muhammad Candragupta Jihwaprani, Wahyu Choirur Rizky, Mazhar Mushtaq (2023) · Quercetin - Effects on Human Health
    Waarom het belangrijk is: Recent (2023) · open access
    SCORE 10.99 Mechanisme Citaties: 11 Open Access DOI ↗
  10. #10
    Randi L. Edwards, Tiffany Lyon, Sheldon E. Litwin et al. (2007) · Journal of Nutrition
    Waarom het belangrijk is: 558 citaties · open access
    SCORE 10.49 Mechanisme Citaties: 558 Open Access DOI ↗
  11. #11
    Christine Morand, Vanessa Crespy, Claudine Manach et al. (1998) · American Journal of Physiology-Regulatory, Integrative and Comparative Physiology
    Waarom het belangrijk is: 333 citaties · open access
    SCORE 9.82 Mechanisme Citaties: 333 Open Access DOI ↗
  12. #12
    María P. Portillo (2011) · The Open Nutraceuticals Journal
    Waarom het belangrijk is: 218 citaties · open access
    SCORE 9.57 Mechanisme Citaties: 218 Open Access DOI ↗
  13. #13
    Kate Nyarko (2024) · Quercetin - Effects on Human Health
    Waarom het belangrijk is: Recent (2024) · open access
    SCORE 9.37 Mechanisme Citaties: 10 Open Access DOI ↗
  14. #14
    Wang, ZH, Gareth R Williams, Chen Li et al. (2014) · Public Library of Science (PLoS)
    Waarom het belangrijk is: Open access
    SCORE 9.12 Industrie Citaties: 41 Open Access DOI ↗
  15. #15
    Marianne Reinboth, Siegfried Wolffram, Getu Abraham et al. (2010) · British Journal Of Nutrition
    Waarom het belangrijk is: 144 citaties · open access
    SCORE 8.73 Mechanisme Citaties: 144 Open Access DOI ↗
  16. #16
    Chen, Bo-Lin;Wang, Li-Ting;Huang, Kuo-How;Wang, Ching-Chia;Chiang, Chih-Kang;Liu, Shing-Hwa, 劉興華;姜至剛;黃國皓;王景甲 (2017) · The Journal of Nutritional Biochemistry
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 8.63 Mechanisme Citaties: 80 DOI ↗
  17. #17
    Priya Mijgar, Uday Deokate (2023) · Quercetin - Effects on Human Health
    Waarom het belangrijk is: Recent (2023) · open access
    SCORE 7.96 Farmacologie Citaties: 3 Open Access DOI ↗
  18. #18
    et al. (2026) · Food Chemistry: X
    Waarom het belangrijk is: Recent (2026) · open access
    SCORE 7.95 Mechanisme Citaties: 1 Open Access DOI ↗ PubMed ↗
  19. #19
    Mohammed I. Rushdi (2024) · Quercetin - Effects on Human Health
    Waarom het belangrijk is: Recent (2024) · open access
    SCORE 7.15 Mechanisme Citaties: 1 Open Access DOI ↗
  20. #20
    et al. (2026) · Scientific Reports
    Waarom het belangrijk is: Recent (2026) · open access
    SCORE 7.05 Mechanisme Open Access DOI ↗ PubMed ↗
📈 HPLC-gradiënt — optimalisator (LSS) SJABLOON

Gradiënt gebaseerd op PubChem XLogP3 + LSS (Snyder et al. 2010, hfdst. 9).

  • Kolom: C18
  • Buffer: phosphate
  • Debiet: 1 mL/min
  • logP: 1.5 (PubChem XLogP3)
  • Ramp: 17% → 95% B, 15 min
  • Totale analysetijd: 28 min
t (min) %A %B flow (mL/min) Opmerking
0 83 17 1 start (evenwicht)
2 83 17 1 einde van de initiële hold
17 5 95 1 einde van de LSS-ramp
22 5 95 1 kolomspoeling
23 83 17 1 terug naar init
28 83 17 1 her-equilibratie
📚 Wetenschappelijke referenties (Chicago Author-Date)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531. [DOI ↗]

REST: /wp-json/molgod/v1/hplc/gradient/117-39-5

🌈 Detector + golflengte (UV/Vis) 370 nm
VerbindingQuercetin
λmax370 nm
λmin255 nm
εmax (M⁻¹·cm⁻¹)21,000
Oplosmiddel (referentie)methanol
Voorgestelde λ370 nm
Aanbevolen detectorUV
AlternatievenPDA/DAD, MS, FLD

Gegevensbron: Perkampus 1992

📚 Wetenschappelijke referenties (Chicago Author-Date) 33 refs · 4 baz

METODA Methodebibliografie

  1. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. "Principles of Instrumental Analysis." 7th ed. Cengage Learning. ISBN 978-1-305-57721-3.
  2. Perkampus, Heinz-Helmut. 1992. "UV-VIS Spectroscopy and Its Applications." Springer. ISBN 978-3-642-77479-9. →
  3. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." 2nd ed. Wiley-Interscience. ISBN 978-0-471-41138-4.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. ISBN 978-0-470-16754-0. →
  5. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. →
  6. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  7. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
  8. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. ISBN 978-0-471-68162-4. →
  10. Kim, Sunghwan, et al.. 2023. "PubChem 2023 update." Nucleic Acids Research 51: D1373-D1380 →
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 →
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 →
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →

MOLEKUŁA Bibliografie per CAS (live uit 13+ databases)

Bronnen: db:europepmc (14) · db:pubmed (1) · db:Europe PMC (1)

  1. db:europepmc Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.1371/journal.pone.0342423. →
  2. db:europepmc Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of biochemical and molecular toxicology. https://doi.org/10.1002/jbt.70855. →
  3. db:europepmc Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://doi.org/10.1155/sci5/5159975. →
  4. db:europepmc Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemistry and biophysics reports. https://doi.org/10.1016/j.bbrep.2026.102540. →
  5. db:europepmc Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology. https://doi.org/10.1167/tvst.15.4.3. →
  6. db:europepmc Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.3390/cells15060552. →
  7. db:europepmc Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical sciences. https://doi.org/10.36721/pjps.2026.39.8.226.1. →
  8. db:europepmc Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of toxicology. https://doi.org/10.1007/s00204-026-04308-z. →
  9. db:europepmc Liu, G; Kong, X; Zhao, Y; Cai, N. 2026. "Quercetin Ameliorates Comorbid Insomnia in Diarrhea-Predominant Irritable Bowel Syndrome via the PI3K/AKT/NF-κB Signaling Pathway." Biomedicines. https://doi.org/10.3390/biomedicines14030692. →
  10. db:europepmc Zhang, L; Chen, Z; Yang, M; Sun, H. 2026. "Quercetin upregulates steroid hormone biosynthesis to enhance reproductive performance in roosters." Poultry science. https://doi.org/10.1016/j.psj.2026.106590. →
  11. db:europepmc Wang, Z; Huang, J; Huang, D; An, R. 2026. "Quercetin suppresses the progression of HBV-associated hepatocellular carcinoma by modulating the EGFR signaling pathway." PloS one. https://doi.org/10.1371/journal.pone.0350584. →
  12. db:europepmc Zhai, C; Wu, Q; Yang, X; Xie, Y. 2026. "Quercetin alleviates LPS-induced inflammatory response in dairy cow lamellar keratinocytes through PI3K/Akt/NF-κB signaling pathway." BMC veterinary research. https://doi.org/10.1186/s12917-026-05300-6. →
  13. db:europepmc Naddafi, M; Udayabhaskararao, T. 2026. "Protective effects of rutin and quercetin against diazinon-induced toxicity in Wistar Rat Liver." Scientific reports. https://doi.org/10.1038/s41598-026-52967-w. →
  14. db:europepmc Hong, L; Xia, S; Chen, N; Wang, Z. 2025. "Quercetin's regulation of glucose and lipid metabolism in gestational diabetes mellitus: role of the PCSK9/LDLR axis." Nutrition & metabolism. https://doi.org/10.1186/s12986-025-01048-2. →
  15. db:pubmed Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al.. (2025). "Quercetin in Idiopathic Pulmonary Fibrosis and Its Comorbidities: Gene Regulatory Mechanisms and Therapeutic Implications.". Genes. https://doi.org/10.3390/genes16080856 →
  16. db:Europe PMC (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".

REST: /wp-json/molgod/v1/hplc/detector/117-39-5

📐 HPLC-pieksymmetriecalculator (USP Tf / As)

Bereken de USP-tailingfactor (Tf) en de asymmetrie (As) uit de piekhalfbreedtes. Voer a (linker halfbreedte) en b (rechter halfbreedte) in, gemeten op 5% of 10% van de piekhoogte.

📚 Referenties (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
  3. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]
📊 Calculator voor resolutie en schotelgetal (Rs, N, H)

Bereken de resolutie Rs, het aantal theoretische schotels N en de HETP (H) voor een paar HPLC-pieken. Voer de retentietijden, piekbreedtes (op 50% of aan de basis) en de kolomlengte in.

📚 Referenties (Chicago Author-Date)
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. John Wiley & Sons. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2 covers resolution, plate count and HETP fundamentals (Snyder et al. 2010).
  2. USP General Chapter <621>. 2024. "Chromatography." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines Rs >= 1.5 acceptance criterion and N calculation methods.
  3. Dolan, John W.. 2003. "How much resolution is enough?." LCGC North America 21: 350-353 [link ↗] — Practical guidance on Rs targets for routine method development.
  4. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289 https://doi.org/10.1016/0009-2509(56)80003-1 [link ↗] — Origin of N = 5.54·(tr/w0.5)² half-height plate count formulation.
  5. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker. ISBN 978-0-8247-1357-7. — Resolution equation Rs = (1/4)·√N·(α-1)/α·k/(1+k) (master equation).
  6. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Skewed-peak corrections to apparent N.
  7. Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364 https://doi.org/10.1093/chromsci/15.9.352 [link ↗]
  8. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  9. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗]
  10. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772 https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182 https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗]

Related products

🧪 System Suitability — live calculator (USP <621>)

Voer gegevens van 5-6 injecties in (areas, tr, tailing, plates) — de calculator berekent %RSD, gemiddelden en controleert de conformiteit met USP <621>. Je kunt CSV plakken (door komma's gescheiden) of afzonderlijke waarden bewerken.

📚 Referenties (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
  3. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial."
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC."
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations."
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography."

Inne produkty z tej kategorii

📈 UV-VIS-spectrumvoorspeller (200-400 nm) λmax 370 nm MolGod_UVVIS_1
0%25%50%75%100%200250300350400370 nmA = ε·c·lA / Aₘₐₓ (%)
VerbindingQuercetin
λmax370 nm
λmin255 nm
εmax (M⁻¹·cm⁻¹)21,000
Oplosmiddel (query)water
Oplosmiddel (referentie)methanol
Concentratie (M)1e-4
Weglengte (cm)1
FWHM van de curve80 nm

Model: gausscurve gecentreerd op λmax, geschaald volgens de wet van Beer-Lambert A = ε · c · l. Transmissie T = 10^(-A) · 100%.

📚 Wetenschappelijke referenties (Chicago Author-Date)
  1. Liu, Si-Jia, Hu, Su-Qin, Chen, Yu-Cai, Guo, Jian. 2021. "Uncovering the mechanism of quercetin for treating spermatogenesis impairment by a network pharmacology approach." All Life 14 (1): 699-708. https://doi.org/10.1080/26895293.2021.1961878. [DOI]
  2. Feng, M; Zhou, X; Yang, T; Chen, Z. 2026. "Quercetin prevents age-related hearing loss in C57BL/6J mice by activating mitophagy and inhibiting the NLRP3 inflammasome." PloS one. https://doi.org/10.1371/journal.pone.0342423. [DOI]
  3. Alves, ÉR; Silva, JGMD; Melo, IMF; Santos, LCDS. 2026. "Melatonin and Quercetin Co-Treatment Attenuates Hepatic Damage in Diabetic Rats by Mitigating Oxidative Stress and Inflammation." Journal of biochemical and molecular toxicology. https://doi.org/10.1002/jbt.70855. [DOI]
  4. Jumriani, J; Aswad, M; Ratnawati, R; Filmaharani, F. 2026. "<i>In Vivo</i> and <i>In Silico</i> Analysis of Quercetin's Effects on Glycemic Regulation." Scientifica. https://doi.org/10.1155/sci5/5159975. [DOI]
  5. Tang, Y; Jiang, YH; Wu, CY; Wang, GT. 2026. "Quercetin alleviates CCl<sub>4</sub>-induced liver fibrosis via regulating gut microbiota and the AGE-RAGE/PI3K/Akt signaling axis." Biochemistry and biophysics reports. https://doi.org/10.1016/j.bbrep.2026.102540. [DOI]
  6. Zhao, L; Guo, B; Dong, X; Du, Y. 2026. "Targeting the Hedgehog Signaling Pathway in the Retina Using Quercetin-Loaded Lipid Nanoparticles for Myopia Control." Translational vision science & technology. https://doi.org/10.1167/tvst.15.4.3. [DOI]
  7. Shen, D; Kong, W; Qiu, H; Yuan, H. 2026. "Quercetin Alleviates Cerebral Ischemia-Induced Neuroinflammation by Inhibiting Microglia-Mediated NLRP3/Caspase-1/GSDMD Pathway." Cells. https://doi.org/10.3390/cells15060552. [DOI]
  8. Bai, H; Xu, Y; Zhao, B; Qin, X. 2026. "The mechanisms of myricetin and quercetin in regulating miRNA-140 and MMP/TIMP signaling pathway in osteoarthritis treatment." Pakistan journal of pharmaceutical sciences. https://doi.org/10.36721/pjps.2026.39.8.226.1. [DOI]
  9. Santos, I; Costa, VM; Carvalho, F; Fernandes, E. 2026. "Quercetin mitigates size-dependent oxidative and metabolic toxicity of citrate-coated silver nanoparticles in human erythrocytes." Archives of toxicology. https://doi.org/10.1007/s00204-026-04308-z. [DOI]
  10. Liu, G; Kong, X; Zhao, Y; Cai, N. 2026. "Quercetin Ameliorates Comorbid Insomnia in Diarrhea-Predominant Irritable Bowel Syndrome via the PI3K/AKT/NF-κB Signaling Pathway." Biomedicines. https://doi.org/10.3390/biomedicines14030692. [DOI]
  11. Zhang, L; Chen, Z; Yang, M; Sun, H. 2026. "Quercetin upregulates steroid hormone biosynthesis to enhance reproductive performance in roosters." Poultry science. https://doi.org/10.1016/j.psj.2026.106590. [DOI]
  12. Wang, Z; Huang, J; Huang, D; An, R. 2026. "Quercetin suppresses the progression of HBV-associated hepatocellular carcinoma by modulating the EGFR signaling pathway." PloS one. https://doi.org/10.1371/journal.pone.0350584. [DOI]
  13. Zhai, C; Wu, Q; Yang, X; Xie, Y. 2026. "Quercetin alleviates LPS-induced inflammatory response in dairy cow lamellar keratinocytes through PI3K/Akt/NF-κB signaling pathway." BMC veterinary research. https://doi.org/10.1186/s12917-026-05300-6. [DOI]
  14. Naddafi, M; Udayabhaskararao, T. 2026. "Protective effects of rutin and quercetin against diazinon-induced toxicity in Wistar Rat Liver." Scientific reports. https://doi.org/10.1038/s41598-026-52967-w. [DOI]
  15. Hong, L; Xia, S; Chen, N; Wang, Z. 2025. "Quercetin's regulation of glucose and lipid metabolism in gestational diabetes mellitus: role of the PCSK9/LDLR axis." Nutrition & metabolism. https://doi.org/10.1186/s12986-025-01048-2. [DOI]
  16. Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al.. (2025). "Quercetin in Idiopathic Pulmonary Fibrosis and Its Comorbidities: Gene Regulatory Mechanisms and Therapeutic Implications.". Genes. https://doi.org/10.3390/genes16080856 [DOI]
  17. (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".
  18. Linstrom, Peter J., and William G. Mallard, eds. 2023. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. [DOI]
  19. Mayerhöfer, Thomas G., Samir Pahlow, and Jürgen Popp. 2020. "The Bouguer-Beer-Lambert Law: Shining Light on the Obscure." ChemPhysChem 21 (18): 2029-2046. [DOI]
  20. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning. ISBN 978-1-305-57721-3.
  21. Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. ISBN 978-0-12-803224-4.
  22. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  23. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  24. Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. ISBN 978-0-495-88992-9.
  25. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  26. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  27. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  28. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  29. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
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  32. Beer, August. 1852. "Bestimmung der Absorption des rothen Lichts in farbigen Flüssigkeiten." Annalen der Physik und Chemie 86: 78-88. https://doi.org/10.1002/andp.18521620505.
  33. Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.

📖 Wartość λmax = 370 nm pochodzi z bazy/literatury. Brak niezależnego potwierdzenia krzyżowego (NIST / CrossRef / PubChem) — weryfikacja krzyżowa niedostępna.

REST: /wp-json/molgod/v1/spectra/uv-vis/117-39-5?solvent=water&path_length_cm=1

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📚 REFERENTIES (Verzamelde bibliografie, Chicago Author-Date) 107 items

Alle wetenschappelijke bronnen die in de accordeons hierboven voor CAS 117-39-5 worden geciteerd.Formaat: Chicago Manual of Style 17e ed., Author-Date-systeem.

🗄️ Wetenschappelijke databanken

  1. NIST. 2026. NIST Chemistry WebBook: CAS 117-39-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=117-39-5. (Accessed 2026-11-12.)
  2. AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 117-39-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
  3. PubChem. 2026. PubChem Compound Summary: CAS 117-39-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=117-39-5. (Accessed 2026-11-12.)
  4. ECHA. 2026. C&L Inventory and REACH Registration: CAS 117-39-5. Helsinki: European Chemicals Agency. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf. (Accessed 2026-11-12.)

📐 Standaarden / Richtlijnen

  1. ICH. 2026. "ICH Harmonised Guideline: CAS 117-39-5." Geneva: International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf. (Accessed 2026-11-12.)
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Boeken

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 Monografieën

  1. IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 117-39-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/. (Accessed 2026-11-12.)

📄 Wetenschappelijke artikelen (peer-reviewed)

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

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  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
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