quercetina — etichetta CAS 117-39-5

quercetina

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Reagente chimico Kwercetyna flawonoid (CAS 117-39-5). Scheda enciclopedica completa — classificazione, proprietà e dati di sicurezza — di seguito.

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MolGod_SDSCARD_1
REACH 2020/878
v1 · 17.07.2026
Kategoria:
🧬 Visualizzatore di molecole 3D
Caricamento molecola...
Modello 3D Quercetin, CAS 117-39-5, formula molecolare C15H10O7, massa molare 302.23 g/mol

Dati trascritti da registri normativi e letteratura tecnica, con indicazione della fonte e dell'edizione. Non sostituiscono la scheda di dati di sicurezza del fornitore. I campi privi di fonte registrata sono contrassegnati come tali.

Panoramica chimica: QuercetinMolGod_OVERVIEW_1
Formula molecolareC15H10O7[1]
Peso molecolare302.23 g/mol[1]
Punto di fusione317 °C[1]
LogP (lipofilia)1.5[1]
Nome IUPAC2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one[1]
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[1]
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N[1]

Sinonimi: quercetin · 117-39-5 · Meletin · Sophoretin · Xanthaurine

Fonti dei dati: PubChem (NLM/NIH)
Ultimo aggiornamento: 2026-06-30

📚 Riferimenti scientifici (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Formula molecolare · Peso molecolare · Punto di fusione · LogP (lipofilia) · Nome IUPAC · SMILES · InChIKey

RICERCA SCIENTIFICA

[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
Vai allo studio completo ↗
[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
Vai allo studio completo ↗
[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
Vai allo studio completo ↗
[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
Vai allo studio completo ↗
[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
Vai allo studio completo ↗
[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
Vai allo studio completo ↗
[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
Vai allo studio completo ↗
[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
Vai allo studio completo ↗
📚 Riferimenti scientifici (Chicago Author-Date) 16 refs · 3 baz

MOLEKUŁA Bibliografia per-CAS (live da 13+ banche dati)

Fonti: 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).".
📊 Proprietà fisico-chimiche

Riferimento rapido

Formula: C15H10O7
MW: 302.23 g/mol
CAS: 117-39-5
Aspetto: Aghi gialli (alcool diluito, +2 acqua)

Proprietà dettagliate

Uzupełnienie tabeli „Właściwości fizykochemiczne (baza danych)” poniżej — powtórzone wartości pokazujemy tylko raz.

Proprietà Valore Unità Conditions Source
Punto di ebollizione (bp) Sublimes (NTP, 1992) CAMEO Chemicals ↗
🔬 Proprietà avanzate

Identificatori chimici

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

Fonti dei dati: CAMEO Chemicals

Ultimo aggiornamento: 2026-06-14

Stato normativo della sostanza
Questa sostanza è soggetta a requisiti normativi: gestione dei rifiuti pericolosi (BDO). Dettagli nella sezione "Stato normativo (REACH/ECHA/CLP)" e nella scheda SDS. Informazione normativa — non limita l'acquisto nel negozio.
🧮 Calcolatore stechiometricoMolGod_STOICH_1
🔍 Identificatori esterniMolGod_EXTID_1
14 su 16 sistemi ID88%
DatabaseIdentificatoreAzioni
CAS Registry Number117-39-5Apri →
PubChem CID5280343[1]Apri →
InChIKeyREFJWTPEDVJJIY-UHFFFAOYSA-N[1]Apri →
InChIInChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(…[1]
SMILESC1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[1]
EC Number204-187-1[2]Apri →
DrugBankDB04216Apri →
KEGG CompoundC00389Apri →
HMDBHMDB0005794Apri →
ChemSpider4444051[3]Apri →
MeSH UID (NLM)D011794Apri →
UNII (FDA)9IKM0I5T1EApri →
NSC Number (NCI)9219Apri →
WikiData QIDQ409478Apri →

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

📚 Riferimenti scientifici (Chicago Author-Date) (3 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
  3. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider
📡 Spettroscopia — CAS 117-39-5MolGod_SPECHUB_MAIN
📊 Banche dati di spettri spettroscopici — dati inline 9 sources MolGod_SPECDB_2

Gli spettri vengono recuperati su richiesta da 9 fonti. Ogni spettro viene salvato nel nostro database — l'apertura successiva = zero richieste all'API esterna. Scarica JCAMP-DX / CSV / PNG per ogni spettro senza dover cercare.

IR IR (Infrared) — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
MS (NIST) Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 NIST Standard Reference Database 1A
UV-Vis UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 NIST Chemistry WebBook, SRD 69
¹H NMR NMR (¹H, ¹³C) — NMRShiftDB
CC-BY-SA 4.0
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 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
▶ Clicca per caricare lo spettro
🔗 Source
— points
📚 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

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

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

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

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

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

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

Fonte di riferimento — nessuna API pubblica. Apri nella banca dati esterna:

🔗 DOAJ →
📚 DOAJ — doaj.org

I dati vengono scaricati una sola volta (parser JCAMP-DX) e salvati nel database locale del plugin. Nessun download duplicato, nessuna query a NIST alle aperture successive. Licenze rispettate (vengono pubblicati solo un deep link e una visualizzazione propria).

🔬 Spettri interattivi (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Dati recuperati in tempo reale da più fonti (priority-chain). JCAMP-DX / CSV / PNG disponibili per il download sotto ogni spettro.

IR — infrarosso in trasformata di Fourier

Caricamento IR — infrarosso in trasformata di Fourier…

MS — spettrometria di massa (EI 70eV)

Caricamento MS — spettrometria di massa (EI 70eV)…

📐 Proprietà fisico-chimiche (database) 3 campi MolGod Score: Nessuna fonte
Proprietà Valore Unità Conditions Source
Punto di fusione 317 [1] °C 1 atm No primary source
Solubilità in acqua 0.06 g/L 25°C No primary source
logP (ottanolo/acqua) 1.5 [1] — No primary source
📚 Riferimenti scientifici (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Punto di fusione · logP (ottanolo/acqua)
🔄 Convertitore di unità di concentrazione LIVE MolGod_UNITCONV_1

Inserisci la concentrazione Quercetin in qualsiasi unità — il resto verrà calcolato automaticamente.

MW: 302.23 g/mol · IUPAC Gold Book ↗

⚗️ Formule di conversione + citazioni (per formula)
ConversionFormulaAccuratezzaSource
% (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)
📚 Bibliografia (8 fonti autorevoli)
  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
🧪 Procedura guidata di preparazione della soluzione WIZARD MolGod_PREP_1
① Seleziona la concentrazione
② Volume finale
③ Solvente

Calcoli secondo: IUPAC Gold Book ↗, Merck ↗

🛡️ Sicurezza — CAS 117-39-5MolGod_SAFEHUB_MAIN
Avviso sulle limitazioni dei dati. Le informazioni sulla sicurezza contenute in questa pagina hanno carattere informativo e non sostituiscono la scheda di dati di sicurezza (SDS) completa. Prima di utilizzare il prodotto, consultare la scheda di dati di sicurezza aggiornata del produttore e le linee guida GHS/CLP. La classificazione CLP riguarda la sostanza pura bulk, non i preparati commerciali.

Classificazione GHS/CLP — Regolamento (CE) n. 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Pericolo (Danger)
GHS06 — Tossico
GHS06 Tossico

🚨 Indicazioni di pericolo (H)

  • H301 — Tossico se ingerito.

🛡 Consigli di prudenza (P)

  • P264 — Lavare accuratamente … dopo l’uso.
  • P270 — Non mangiare, né bere, né fumare durante l’uso.
  • P301+P310 — IN CASO DI INGESTIONE: Contattare immediatamente un CENTRO ANTIVELENI/un medico/…
  • P330 — Sciacquare la bocca.
  • P501 — Smaltire il prodotto/recipiente in …

⚠ Classificazione basata sul consenso delle fonti (PubChem / notifiche dei fornitori) — non verificata rispetto alla classificazione armonizzata dell'allegato VI (CLP). L'ambito dei pericoli può essere più ampio della classificazione ufficiale; prima dell'uso verificare con la scheda di dati di sicurezza aggiornata del fornitore.

⚠ IARC — Gruppo 3: non classificabile quanto alla cancerogenicità per l'uomo (valutato dall'IARC). (Valutazione indipendente delle evidenze di cancerogenicità da parte di IARC/WHO — integra la classificazione CLP soprastante.)
Riferimento (Chicago): IARC. n.d. 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/.
Classificazione dall'elenco locale MOL-GOD (snapshot) — non verificata rispetto all'elenco IARC corrente. Verifica

Traduzioni: Regolamento CLP (CE) 1272/2008, Allegato III e IV. Dati: PubChem/NLM.

📚 Riferimenti scientifici consolidati — Chicago Author-Date 10 sources

Riferimenti raccolti da tutte le schede del 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, Normative
  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

Le schede con riferimenti propri (Emergency, PPE, Storage, Waste) contengono ulteriori voci bibliografiche all'interno delle rispettive sezioni.

📈 Statistica analitica (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Incolla una serie di misure replicate (CSV oppure un numero per riga). Il calcolatore calcolerà la media, la deviazione standard e il 95% CI, e rileverà gli outlier (Grubbs + Dixon Q).

Separatore: virgola, spazio, tab, nuova riga. Min 3 misurazioni.
📐 Formule statistiche
  • x̄ = Σxᵢ / n — media aritmetica
  • s² = Σ(xᵢ - x̄)² / (n-1) — varianza campionaria
  • s = √s² — deviazione standard
  • RSD% = (s / x̄) × 100% — deviazione standard relativa
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test di Grubbs
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🧪 Calcolatore di ricette per tamponi UNIQUE
Bibliografia: Valori di pKa da Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

Scegli un tampone dall'elenco di 20 sistemi popolari → inserisci il pH target → otterrai una ricetta esatta con le masse da pesare.

Passo 1: Scegli un sistema tampone

📜 Cronologia delle ricette (ultime 10)
📊 Validazione del metodo HPLC (ICH Q2(R1)) PARTIAL

3 of 3 critical metrics need experimental data

Parametro Valore Unità Criterio ICH Q2 Status
Linearità (R²) nessun dato unitless R² ≥ 0.999 (≥0.99 per la bioanalitica) —
LOD (S/N = 3:1) nessun dato ng/mL S/N ≥ 3:1 (concentrazione rilevabile più bassa) —
LOQ (S/N = 10:1) nessun dato ng/mL S/N ≥ 10:1 (LOQ ≥ 3×LOD tipicamente) —
Precisione (RSD intraday, n=6) nessun dato % RSD RSD ≤ 2% (intraday) / ≤ 3% (interday) per l'API —
Accuratezza (recupero, 3 livelli) nessun dato % (target 100±2%) Recovery 98-102% (target 100%) —
Intervallo di linearità nessun dato es. 0.1-100 ng/mL Min. 80-120% della concentrazione nominale —
Selettività/Specificità nessun dato qualitative Nessuna interferenza — picco dell'analita completamente risolto (Rs ≥ 2.0) —
Robustezza (robustness) nessun dato RSD < 2% con variazione del ±5% RSD < 2% con piccole variazioni dei parametri —
Legend: ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere

Standard di convalida dei metodi analitici — 4 fonti indipendenti (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.

· ⚠ Avvisi normativi SVHC/REACH ↑

🔧 Risoluzione dei problemi HPLC — albero decisionale 6 problemi comuni

Diagnostica dei 6 problemi HPLC più comuni con albero decisionale (5 passaggi per problema). Fonte: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

Picchi allargati (broad peaks) medium

Sintomo: Tutti i picchi nel cromatogramma sono più larghi del previsto (FWHM > 2× della norma)

🔍 Albero diagnostico:
  1. 1. Verifica se tutti i picchi sono allargati o solo alcuni
    → SÌ: Tutti → problema strumentale (colonna o sistema)
    → NO: Solo alcuni → problema chimico (interazione con la colonna per analiti specifici)
  2. 2. Sostituisci con una colonna di prova — il problema scompare?
    → SÌ: COLONNA usurata — packing danneggiato, void nei primi mm. Sostituiscila.
    → NO: Problema nel sistema LC
  3. 3. Controllare il volume morto (dead volume) — loop di iniezione, connessioni, rivelatore
    → SÌ: Loop > 100 µL per una colonna da 4.6 mm o connessioni allentate → sostituire le ferrule, accorciare i tubi
    → NO: Continua diagnostica
  4. 4. Test di temperatura: aumentare la colonna da 25°C a 40°C
    → SÌ: Picchi più stretti → cinetica di trasferimento di massa troppo lenta (aumentare T)
    → NO: Continue
  5. 5. Controllare il flow rate rispetto al valore ottimale di van Deemter per questa colonna
    → SÌ: Ottimale per 4.6mm/5µm = 1.0 mL/min, per 2.1mm/3µm = 0.4 mL/min
    → NO: Continue
⚠️ Cause comuni:
  • Colonna usurata (>2000 iniezioni senza guard)
  • Volume morto del sistema > 100 µL (loop errato, tubi lunghi, ferrule allentate)
  • Temperatura troppo bassa (cinetica di trasferimento di massa)
  • Flow rate al di fuori dell'ottimale di van Deemter
  • Solvente del campione più forte della fase A
✓ Soluzioni:
  • ✓ Sostituire la colonna (quando >2000 iniezioni)
  • ✓ Controllare tutte le connessioni — tubi il più corti possibile
  • ✓ Aumentare la T della colonna a 40°C (se la sostanza è stabile)
  • ✓ Ridurre il flow all'ottimale di van Deemter
  • ✓ Sciogliere il campione nella fase A (non in organico puro)
Coda dei picchi (tailing, T > 1.5) high

Sintomo: I picchi presentano una "coda" prolungata sul lato di eluizione tardiva (asimmetria T = b/a > 1.5 secondo USP)

🔍 Albero diagnostico:
  1. 1. La sostanza contiene gruppi basici (ammino, piridina)?
    → SÌ: Sì → interazioni silanoliche! Aggiungere 0.1% TFA o 5-10 mM TEA alla fase A.
    → NO: Continue
  2. 2. Controllare il pH della fase mobile rispetto al pKa della sostanza
    → SÌ: pH = pKa ± 1 → ionizzazione parziale, peak split. Portare il pH a ≥ 2 unità di distanza dal pKa.
    → NO: Continue
  3. 3. Controllare l'età della colonna (>1500 iniezioni?)
    → SÌ: Sì → silanoli esposti (column bleed). Sostituire con una colonna con endcapping più elevato (XTerra, Symmetry).
    → NO: Continue
  4. 4. Il campione contiene metalli (Fe, Cu dalle fiale di vetro)?
    → SÌ: Sì → utilizzare fiale incolori di tipo II o PFA. EDTA 0.1mM nel campione.
    → NO: Continue
⚠️ Cause comuni:
  • Interazioni silanoliche (analita basico + silanoli liberi del gel di silice)
  • pH al limite del pKa dell'analita (peak split)
  • Colonna vecchia (column bleed, elevata attività silanolica)
  • Metalli nel campione (chelazione → tailing)
  • Sovraccarico della colonna (>50 µg su una colonna da 4.6mm)
✓ Soluzioni:
  • ✓ Aggiungere 0.1% TFA (UV) o 0.1% acido formico (LC-MS) alla fase A
  • ✓ Scegliere una colonna con endcapping ad alta purezza: Waters XBridge BEH, Phenomenex Kinetex
  • ✓ Lavorare a pH ≥ 2 unità di distanza dal pKa
  • ✓ EDTA 0.1mM nel campione (chelazione Fe/Cu)
  • ✓ Ridurre il volume di iniezione a ≤ 20 µL per una colonna da 4.6mm
Deriva della linea di base (baseline drift) medium

Sintomo: La linea di base aumenta o diminuisce sistematicamente per >5 minuti

🔍 Albero diagnostico:
  1. 1. Si sta utilizzando un gradiente (B% in aumento)?
    → SÌ: Sì → assorbimento diverso delle fasi A e B a dλ. Cambio di solvente nell'UV-cutoff. Controllare l'assorbanza UV del % di organico.
    → NO: Continua (isocratico)
  2. 2. Controllare la temperatura della colonna — è stabile a ±0.5°C?
    → SÌ: Sì (stabile) → continua
    → NO: Instabile → attivare il termostato della colonna (>25°C controllato)
  3. 3. Test: spegnere l'autosampler, far funzionare solo pompa+colonna+rivelatore
    → SÌ: La deriva scompare → contaminazione dell'autosampler (pulire l'ago, il septum)
    → NO: Continue
  4. 4. Controllare l'età della lampada (D2 per UV)
    → SÌ: Sì (>1500 ore) → sostituire la lampada
    → NO: Continue
⚠️ Cause comuni:
  • Eluizione a gradiente con UV-cutoff diverso delle fasi
  • T della colonna instabile
  • Contaminazione dell'ago/septum dell'autosampler
  • Lampada UV vecchia (>1500h)
  • Cella di flusso del rivelatore sporca
  • Colonna non equilibrata (<10 volumi di colonna)
✓ Soluzioni:
  • ✓ Pre-equilibrare la colonna per 10-15 volumi di colonna al 100% A
  • ✓ Termostato colonna attivo, T 30-40°C stabile
  • ✓ Pulire la flow cell del rivelatore con soluzione ACN:H2O 50:50
  • ✓ Sostituire la lampada D2 se >1500h
  • ✓ Usare la baseline subtraction (funzione nativa Chromeleon, Empower)
Nessun picco / picco perso (no peak) critical

Sintomo: Il picco atteso dell'analita non compare nel cromatogramma

🔍 Albero diagnostico:
  1. 1. L'iniezione è stata effettivamente eseguita?
    → SÌ: Controllare il log dell'autocampionatore, la pressione della pompa (dovrebbe calare durante l'iniezione)
    → NO: Problema dell'autocampionatore → controllare il loop, l'ago, il campione nella fiala
  2. 2. Il campione è nella fiala (volume corretto, non evaporato)?
    → SÌ: Continue
    → NO: Nessun campione — ri-pipettare
  3. 3. Stabilità del campione — preparato >24h fa?
    → SÌ: Sì → degradazione. Ri-preparare un campione fresco.
    → NO: Continue
  4. 4. Controllare la lunghezza d'onda di rilevazione rispetto al λmax della sostanza
    → SÌ: Rilevazione a λ NON corrisponde al λmax → nessun segnale. Scansione DAD 200-400nm.
    → NO: Continue
  5. 5. Test: iniettare uno standard puro (di concentrazione nota, fresco)
    → SÌ: Lo standard dà un picco → problema con il campione (matrice, derivatizzazione)
    → NO: Nessun picco anche con lo standard → problema di sistema (colonna, fase, gradiente)
⚠️ Cause comuni:
  • Campione non prelevato dalla fiala (bug dell'autocampionatore)
  • Campione degradato (>24h pH/temp/luce)
  • Rilevazione alla lunghezza d'onda errata
  • Fase mobile errata (es. TFA dimenticato)
  • Colonna invertita / fase stazionaria errata
  • La sostanza eluisce sul fronte (V0) → non trattenuta, non visibile
✓ Soluzioni:
  • ✓ Ri-preparare un campione fresco secondo il protocollo esatto
  • ✓ Scansione UV-Vis DAD 200-400nm + ricerca del λmax
  • ✓ Controllare la composizione della fase mobile — TFA aggiunto?
  • ✓ Testare la direzione inversa della colonna (con cautela!)
  • ✓ Per ritenzione <1 min — abbassare il % B, MeOH al posto di ACN
  • ✓ Verifica il tempo di ritenzione atteso nel database dei metodi del plugin
Pressione troppo alta (pressure too high) critical

Sintomo: Pressione della pompa > 80% del massimo della colonna o shutdown del sistema con errore high-pressure

🔍 Albero diagnostico:
  1. 1. Controllare che la colonna sia collegata correttamente (direzione della freccia)
    → SÌ: OK
    → NO: Colonna invertita → invertirla (non lavorare mai "al contrario")
  2. 2. Test: rimuovere la colonna dal sistema, far girare pompa+rivelatore da soli
    → SÌ: La pressione scende a <50 bar → problema nella colonna (intasata)
    → NO: La pressione rimane alta → filtro in-line intasato, frit sporco
  3. 3. Controllare il filtro pre-colonna (frit in-line)
    → SÌ: Sporco e brunastro → sostituire
    → NO: Continue
  4. 4. Retro-lavare la colonna con ACN:H2O 50:50 senza la colonna — scompare?
    → SÌ: Particelle bloccate nel primo mm — un flush di 30 min può recuperarla
    → NO: Sostituire la colonna
⚠️ Cause comuni:
  • Filtro in-line (frit) intasato da particelle
  • Salting-out del buffer (precipitazione ad alto %B)
  • Il campione contiene materiale in sospensione (filtrare a 0.22 µm prima dell'iniezione)
  • Colonna intasata (compattazione del letto della colonna)
  • Gradiente con fase buffer + molto organico → precipitazione del sale
✓ Soluzioni:
  • ✓ Filtrare SEMPRE il campione con PVDF 0.22 µm prima dell'iniezione
  • ✓ Sostituire il filtro in-line ogni 100 iniezioni (o quando la pressione aumenta >20%)
  • ✓ NON usare buffer fosfato >20mM + >70% ACN (il sale precipita)
  • ✓ Lavare la colonna per 30 min con ACN:H2O 50:50 in direzione inversa (quando il produttore lo consente)
  • ✓ Pre-colonna 4×3mm per proteggere la colonna principale
Picchi fantasma (ghost peaks) high

Sintomo: Picchi inspiegabili sul cromatogramma assenti nella calibrazione

🔍 Albero diagnostico:
  1. 1. Test: iniezione in bianco (solvente puro del campione)
    → SÌ: Compare un ghost → contaminazione del sistema o degli eluenti
    → NO: Compare solo con il campione → matrice
  2. 2. Il ghost cresce con il gradiente (eluisce ad alta %B)?
    → SÌ: Sì → colonna sovraccarica o composti fortemente trattenuti dalla corsa precedente
    → NO: Indipendente dal gradiente → carryover dell'autocampionatore
  3. 3. Increase carryover wash (between injections)
    → SÌ: Aiuta → il carryover era la causa. Protocollo di lavaggio più forte.
    → NO: Continue
  4. 4. Iniezione di acqua pura — c'è un picco?
    → SÌ: Sì → contaminazione della fonte d'acqua (sostanze organiche dal sistema DI)
    → NO: Continue
⚠️ Cause comuni:
  • Carryover nell'ago/loop dell'autocampionatore
  • Contaminazione dell'eluente (anche di grado HPLC)
  • Componenti fortemente trattenuti da corse precedenti
  • Plastica nelle fiale (ftalati, PEG dai tappi)
  • Acqua DI insufficientemente purificata
✓ Soluzioni:
  • ✓ Rafforzare il protocollo di lavaggio: 100% B → 100% A → 50:50 (3 cicli)
  • ✓ Lavaggio forte: DMSO 100% o MeOH 100% prima della calibrazione
  • ✓ Filtrare gli eluenti con PTFE 0.22 µm in caso di dubbio
  • ✓ Usare vetro ambrato + tappi con rivestimento in Teflon per i campioni
  • ✓ Rampa di gradiente periodica fino a 100% B per 10 min (clean-out)
📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere
  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).
🧪 Solubilità e compatibilità con i solventi MolGod_SOLUB_1
Molecola
Quercetin
Formula
C15H10O7
logP (XLogP3)
1.50
Massa (g/mol)
302.23
Polarità
Moderata

⚠️ Stima GC (Hoftyzer-Van Krevelen). Nessun dato HSP di letteratura per questo CAS — precisione ±2 MPa½. Verificare sperimentalmente.

Ra < R₀ = dobra mieszalność · Ra < 1,5×R₀ = graniczna · powyżej = słaba (R₀ — promień sfery Hansena tej molekuły) Dla tej molekuły R₀ = 8.

Solvente Compat. Ra Visuale GC-MS HPLC Applications Riferimenti
Water (H₂O)0.06 g/L (pomiar)—
✗ NieA (aqueous) (RP)
tamponecoltura cellulareanaliticoestrazione (idrofila)
Ethanol (EtOH)——brak podstawy✗ NieA/B modifier (RP/NP)
extractionspettroscopia (UV-Vis)sintesimodificatore HPLC
Methanol (MeOH)——brak podstawy✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone——brak podstawy✗ NieB modifier (NP)
GC headspacecristallizzazionesgrassaggiosintesi
Acetonitrile (ACN)——brak podstawy✗ NieB (RP) (RP)
eluente HPLC (gold standard)LC-MS (wolny cut-off UV 190 nm)analisi dei peptidi
DMSO——brak podstawy✗ NieN/A (N/A)
NMR (d6-DMSO)biologia cellulare (crioconservazione)somministrazione di farmacisintesi
THF——brak podstawy✗ NieB (NP) (NP)
GPC/SEC (analisi dei polimeri)sintesi di Grignardorganometallici
DCM (CH₂Cl₂)——brak podstawy✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScristallizzazione (anti-solvente)
Chloroform (CHCl₃)——brak podstawy✓ TakN/A (toxic) (N/A)
NMR (CDCl3)estrazione dei lipidi (metodo Folch)NP-TLC
Hexane——brak podstawy✓ TakA (NP) (NP)
NP-HPLCestrazione di oli (lipidi)GC-MSTLC (NP)
Toluene——brak podstawy✓ TakB (NP) (NP)
NMR (d8-toluene)sintesiessiccazione azeotropica Dean-Stark
📚 Riferimenti scientifici per i solventi (Chicago Author-Date) — clicca per espandere

11 solventi · 54 citazioni complete (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — sotto.

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
Teoria della solubilità (applicata nella previsione della compatibilità):
  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 — Tripletta HSP (dD, dP, dH) + formula Ra.
  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 — Set tabulare completo di 250+ solventi (ε, μ, donicità, numeri di accettore).
  8. PubChem Compound Database — CAS 117-39-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Bibliografia completa nell'accordion RIFERIMENTI (in fondo alla pagina) — Chicago Manual of Style 17th ed., Author-Date.

🧮 Calcolatori da laboratorio (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarità (M=n/V)
Tampone pH (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Massa → Moli
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Formule verificate: IUPAC Gold Book ↗, DOI ↗

📊 Database di spettri spettroscopici MolGod_SPECDB_3
📋 Generatore di protocolli di laboratorio MolGod_PROTOCOL_1

Protocollo generato sulla base di: GHS SDS, Aldrich Lab Guide ↗

🏷️ Generatore di etichette (QR) MolGod_LABEL_1
Quercetina• quercetin• CAS: 117-39-5• Formula: C15H10O7• Massa: 302.23 g/molPERICOLOINDICAZIONI DI PERICOLO GHS:(autoclassificazione dei fornitori — non vincolante)H301: Tossico se ingerito.P301+P310 P330 P501 P264 P270Solo per uso di laboratorio!DH ScientificScience first. Commerce as consequence.N. lotto: Massa netta: Prod.:
Deskryptory Lipinskiego (struktura)

Grafico radar di drug-likeness (Lipinski Ro5 / Veber). Zona verde = conformità ai criteri.

Dati predittivi — proprietà calcolate in silico (SMILES/RDKit). Non sostituiscono gli studi clinici. Non utilizzare per la valutazione di farmaci senza verifica sperimentale.

MW302.2LogP1.5HBD5HBA7RotB1TPSA127 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✓ Ghose✓ REOS✗ Lead-like Ro3 (MW=302, HBD=5, HBA=7)
ProprietàValoreValutazione
Absorption (GI)alto✓
Permeabilità BBBno
Biodisponibilità (Daina 2017)
55%
CYP450 profileCYP1A2 inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 inhibitorCYP3A4 non-inhibitor
Allerte PAINS0✓
Allerte Brenk0✓
pKa (pH 7.4)10 (predicted)
hERG (cardiotox.)✓ no
Substrato P-gp—
Mutagenicità Ames✓ no
DILI (epatotox.)—
LogS (solub. acq.)—
Fonti (metodologia ADMET)
  1. Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
  2. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  3. Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
  4. Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
  5. Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
  6. Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
  7. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
  8. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
  11. Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
  12. Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
  13. Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
  14. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  15. Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
  16. Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
  17. Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
  18. Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
  19. Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
  20. Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
  21. 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.
  22. 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.
  23. 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.
  24. 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.
  25. 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.
  26. 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.
  27. 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.
  28. 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.
  29. 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.
  30. 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.
  31. 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.
  32. 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.
  33. 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.
  34. 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.
  35. 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
  36. (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".
  37. 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 ↗]
  38. Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
  39. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  40. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  41. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  42. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  43. Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
  44. 2020. "Lipoxygenase Inhibitory Constituents of the Fruits of Noni (Morinda citrifolia) Collected in Tahiti." https://doi.org/10.1021/NP0605539.S001. [DOI ↗]
  45. 2018. "Chemical constituents of Hypericum ssp." https://doi.org/10.1201/9781420023305-8. [DOI ↗]
  46. 2018. "Photographs of Moringa concanensis." https://doi.org/10.2307/J.CTT22728B6.4. [DOI ↗]
  47. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  48. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  49. Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
  50. ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
  51. Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗
  52. Mohsen A. Hedaya. 2003. "Basic Pharmacokinetics." mohsen A. hedaya. ↗
🧪 Assistente di preparazione della soluzione (Smart Prep) MolGod_PREP_2

Inserisci cosa vuoi preparare — genererò una SOP

Esempi qui sotto — clicca per inserire:
Ricette predefinite:
📚 Panoramica della letteratura scientifica — CAS 117-39-5MolGod_LITHUB_MAIN
⭐ Risultati principali (letteratura scientifica) 3 publications
🏆 CAS 117-39-5 — multi-criteria ranking (W12): 30% citazioni · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Han X; Xu T; Fang Q et al. (2021) · Redox biology
    Perché è importante: Must-cite (canone) · 398 citations
    SCORE 11.1 Meccanismo MUST-CITE Citazioni: 398 DOI ↗
  2. #2
    Vásquez-Garzón VR, Velázquez-Enríquez JM, Santos-Álvarez JC et al. (2025) · Genes
    Perché è importante: Recente (2025) · rassegna · open access
    SCORE 7.05 Rassegna Open Access DOI ↗ PubMed ↗
  3. #3
    Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).
    (1992) · PubMed
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 4.56 Meccanismo Citazioni: 32
📈 Gradiente HPLC — ottimizzatore (LSS) MODELLO

Gradiente basato su PubChem XLogP3 + LSS (Snyder et al. 2010, cap. 9).

  • Colonna: C18
  • Tampone: phosphate
  • Flusso: 1 mL/min
  • logP: 1.5 (PubChem XLogP3)
  • Ramp: 17% → 95% B, 15 min
  • Tempo totale di analisi: 28 min
t (min) %A %B flow (mL/min) Commento
0 83 17 1 avvio (equilibrio)
2 83 17 1 fine mantenimento iniziale
17 5 95 1 fine rampa LSS
22 5 95 1 lavaggio della colonna
23 83 17 1 ritorno a init
28 83 17 1 riequilibrazione
📚 Riferimenti scientifici (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.

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

🌈 Rivelatore + lunghezza d'onda (UV/Vis) 370 nm
CompostoQuercetin
λmax370 nm
λmin255 nm
εmax (M⁻¹·cm⁻¹)21 000
Solvente (riferimento)methanol
λ suggerita370 nm
Rivelatore raccomandatoUV
AlternativesPDA/DAD, MS, FLD

Fonte dei dati: Perkampus 1992

📚 Riferimenti scientifici (Chicago Author-Date) 26 refs · 3 baz

METODA Bibliografia del metodo

  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 →

MOLEKUŁA Bibliografia per-CAS (live da 13+ banche dati)

Fonti: 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

📐 Calcolatore della simmetria del picco HPLC (USP Tf / As)

Calcola il fattore di tailing USP (T) e l'asimmetria (As) dalle semilarghezze del picco. Inserisci a (semilarghezza sinistra) e b (semilarghezza destra) misurate al 5% o 10% dell'altezza del picco.

📚 Riferimenti (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 ↗]
📊 Calcolatore di risoluzione e numero di piatti (Rs, N, H)

Calcola la risoluzione Rs, il numero di piatti teorici N e l'HETP (H) per una coppia di picchi HPLC. Inserisci i tempi di ritenzione, le larghezze dei picchi (al 50% o alla base) e la lunghezza della colonna.

📚 Riferimenti (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.
🧪 System Suitability — calcolatore live (USP <621>)

Inserisci i dati di 5-6 iniezioni (areas, tr, tailing, plates) — il calcolatore calcolerà %RSD, le medie e verificherà la conformità con USP <621>. Puoi incollare un CSV (separato da virgole) o modificare i singoli valori.

📚 Riferimenti (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.
📈 Predittore dello spettro UV-VIS (200-400 nm) λmax 370 nm MolGod_UVVIS_1
0%25%50%75%100%200250300350400370 nmA = ε·c·lA / Aₘₐₓ (%)
CompostoQuercetin
λmax370 nm
λmin255 nm
εmax (M⁻¹·cm⁻¹)21 000
Solvente (query)water
Solvente (riferimento)methanol
Concentration (M)1e-4
Lunghezza del cammino ottico (cm)1
FWHM della curva80 nm

Modello: curva gaussiana centrata su λmax con scalatura secondo Beer-Lambert A = ε · c · l. Trasmittanza T = 10^(-A) · 100%.

📚 Riferimenti scientifici (Chicago Author-Date)
  1. 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]
  2. 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]
  3. 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]
  4. 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]
  5. 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]
  6. 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]
  7. 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]
  8. 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]
  9. 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]
  10. 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]
  11. 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]
  12. 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]
  13. 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]
  14. 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]
  15. 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]
  16. (1992). "Toxicology and Carcinogenesis Studies of Quercetin (CAS No. 117-39-5) in F344 Rats (Feed Studies).".
  17. 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]
  18. 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]
  19. 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.
  20. 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.
  21. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  22. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  23. 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.
  24. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  25. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  26. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  27. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  28. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
  29. Fieser, Louis F. 1949. "Extension of Woodward's Rules for Prediction of Conjugated Diene Absorption." Journal of the American Chemical Society 71 (5): 1854-1857. [DOI]
  30. Woodward, Robert B. 1942. "Structure and the Absorption Spectra of Alpha,Beta-Unsaturated Ketones." Journal of the American Chemical Society 64 (1): 72-75. [DOI]
  31. 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.
  32. 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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📚 RIFERIMENTI (Bibliografia complessiva, Chicago Author-Date) 127 elementi

Tutte le fonti scientifiche citate negli accordion sopra per il CAS 117-39-5.Formato: Chicago Manual of Style 17ª ed., sistema Author-Date.

🗄️ Banche dati scientifiche

  1. NIST. n.d. 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.
  2. AIST. n.d. 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/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. 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.
  5. U.S. EPA. n.d. CompTox Chemicals Dashboard: CAS 117-39-5. Research Triangle Park, NC: U.S. Environmental Protection Agency. https://comptox.epa.gov/dashboard/chemical/details/DTXSID4021218.

📐 Standard / Linee guida

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  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.

📖 Libri

  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.

📘 Monographs

  1. IARC. n.d. 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/.

📄 Articoli scientifici (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.

🌐 Siti web

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  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.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. U.S. Occupational Safety and Health Administration (2024) — 29 CFR 1910.120 — Hazardous Waste Operations and Emergency Response (HAZWOPER) https://www.osha.gov/hazwoper.
  10. National Fire Protection Association (2018) — NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents https://www.nfpa.org/codes-and-standards/nfpa-472.
  11. European Parliament and Council (2012) — Directive 2012/18/EU on the Control of Major-Accident Hazards Involving Dangerous Substances (Seveso III) https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=celex:32012L0018.
  12. U.S. National Institute for Occupational Safety and Health (2024) — NIOSH Pocket Guide to Chemical Hazards https://www.cdc.gov/niosh/npg/.
  13. European Chemicals Agency (2020) — Guidance on the Compilation of Safety Data Sheets (SDS), Version 3.1 https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
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  15. Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
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