ascorbinezuur — etiket CAS 50-81-7
Kwas-L-askorbinowy-1000-g-–-czystosci-analitycznej-preparat-techniczny-do-zastosowan-technicznych CAS_NUMBER 50-81-7
Kwas (5R)-[(1S)-1,2-Dihydroksyetylo]-3,4-Dihydroksyfuran-2(5H)-On — CAS 50-81-7 — C6H8O6 — odczynnik chemiczny

ascorbinezuur

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Kwas L-askorbinowy (C₆H₈O₆) to organiczny związek chemiczny. Stosowany w laboratoriach, przemyśle spożywczym i jako reduktor w reakcjach chemicznych.

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MolGod_SDSCARD_1
REACH 2020/878
v5 · 15.07.2026
SKU: kwas-l-askorbinowy-1-cf10dc Kategoria: Znaczników: , , , , , , , , ,
🧬 3D-molecuulvisualisator
Molecuul laden...
3D-model L-Ascorbic Acid, CAS 50-81-7, molecuulformule C6H8O6, molaire massa 176.12 g/mol

Gegevens overgenomen uit regelgevende registers en vakliteratuur, met vermelding van bron en editie. Zij vervangen niet het veiligheidsinformatieblad van de leverancier. Velden zonder vastgelegde bron zijn als zodanig gemarkeerd.

Chemisch overzicht: L-Ascorbic AcidMolGod_OVERVIEW_1
MolecuulformuleC6H8O6[1]
Molecuulmassa176.12 g/mol[1]
Smeltpunt190 °C[1][2]
Dichtheid1.65 g/cm³[1][2][3]
LogP (lipofiliteit)-1.85[1][2]
pKa4.17[2]
IUPAC-naam(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one[1]
SMILESC([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O[1]
InChIKeyCIWBSHSKHKDKBQ-JLAZNSOCSA-N[1]

Synoniemen: l-ascorbic acid · ascorbic acid · vitamin C · 50-81-7 · L(+)-Ascorbic acid

Gegevensbronnen: PubChem (NLM/NIH), CRC Handbook 105th ed. (Haynes 2024)
Laatst bijgewerkt: 2026-06-30

📚 Wetenschappelijke referenties (Chicago Author-Date) (3 bronnen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecuulformule · Molecuulmassa · Smeltpunt · Dichtheid · LogP (lipofiliteit) · IUPAC-naam · SMILES · InChIKey
  2. Rumble, J.R., ed. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press, 2024. ↗ dotyczy: Smeltpunt · Dichtheid · LogP (lipofiliteit) · pKa
  3. NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. ↗ dotyczy: Dichtheid

🎓 Badania akademickie: 50-81-7

#1🎓The First Affiliated Hospital of Chongqing Medical University📅 2026
Ascorbic acid enhances antidepressant-like efficacy of esketamine: Hippocampal TARP-γ8-containing AMPA receptors mediate synaptic modulation
Ke Z; Zhang Y; Jiang X; Luo J; Chen H; Ma Y.
Volledig LAB-rapport →
#2🎓Institute of Mass Spectrometry📅 2025
Identification and characterization of chiral vitamin C using ion mobility and theoretical calculation
Zou Y; Zhang M; Zhou D; Chi C; Wu F; Ding CF.
Volledig LAB-rapport →
#3🎓Université Hassan II (UH2C)📅 2024
Kinetic control aspects and mechanisms in oriented membrane processes for extraction and recovery of ascorbic acid compound
Tarhouchi S; Hlaibi M.
Volledig LAB-rapport →
#4🎓School of Materials Science & Engineering📅 2023
Construction of a Chiral Fluorescent Probe for Tryptophan Enantiomers/Ascorbic Acid Identification
Li J; Du N; Guan R; Zhao S.
Volledig LAB-rapport →
#5🎓Faculty of Science📅 2008
Selective determination of catechin, epicatechin and ascorbic acid in human urine using chiral capillary electrophoresis
el-Hady DA; Gotti R; el-Maali NA.
Volledig LAB-rapport →
#6🎓Marion Merrell Dow Research Institute📅 1995
Cardioselective ammonium, phosphonium, and sulfonium analogues of alpha-tocopherol and ascorbic acid that inhibit in vitro and ex vivo…
Grisar JM; Marciniak G; Bolkenius FN; Verne-Mismer J; Wagner ER.
Volledig LAB-rapport →

WETENSCHAPPELIJK ONDERZOEK

[1]PubMed2024
The Vitamin C Enantiomers Possess a Comparable Potency in the Induction of Oxidative Stress in Cancer Cells but…
Begimbetova D; Burska AN; Baltabekova A; Kussainova A; Kukanova A; Fazyl F. 2024. "The Vitamin C Enantiomers Possess a Comparable Potency in the Induction of Oxidative Stress in Cancer Cells but Diffe
Nazarbayev University
Ga naar het volledige onderzoek ↗
[2]EuropePMC2020
Deep Eutectic Solvents Based on Natural Ascorbic Acid Analogues and Choline Chloride
Maneffa AJ, Harrison AB, Radford SJ, Whitehouse AS, Clark JH, Matharu AS.. 2020. "Deep Eutectic Solvents Based on Natural Ascorbic Acid Analogues and Choline Chloride." . https://doi.org/10.1002/open.
Green Chemistry Centre of Excellence
Ga naar het volledige onderzoek ↗
📊 Fysisch-chemische eigenschappen

Snel overzicht

Formule: C6H8O6
MW: 176.12 g/mol
CAS: 50-81-7
Uiterlijk: Kristallen (meestal platen, soms naalden, monoklien systeem)
Geur: Geurloos

Gedetailleerde eigenschappen

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

Eigenschap Waarde Eenheid Condities Bron
Brekingsindex (nD) 1.534[1] 20 °C, D-line CRC Handbook 105th ed. (Haynes 2024)
🔬 Geavanceerde eigenschappen

Chemische identificatoren

SMILES: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N

Gegevensbronnen: CRC Handbook 105th ed. (Haynes 2024) (ISBN 9781032655628)

Laatst bijgewerkt: 2026-04-27

📚 Wetenschappelijke referenties (Chicago Author-Date) (1 bronnen)
  1. Rumble, J.R., ed. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press, 2024. ↗ dotyczy: Brekingsindex (nD)
Regelgevingsstatus van de stof
Inventarissen: EU/FoodAdd_1333_2008. Regelgevingsinformatie — beperkt de aankoop in deze winkel niet.
🧮 StoichiometrierekenmachineMolGod_STOICH_1
🔍 Externe identificatorenMolGod_EXTID_1
14 van 16 ID-systemen88%
DatabaseIdentificatorActies
CAS Registry Number50-81-7Openen →
PubChem CID54670067[1]Openen →
InChIKeyCIWBSHSKHKDKBQ-JLAZNSOCSA-N[1]Openen →
InChIInChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2…[1]
SMILESC([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O[1]
EC Number200-066-2[2]Openen →
DrugBankDB00126Openen →
KEGG CompoundC00072Openen →
HMDBHMDB0000044Openen →
ChemSpider10189562[3]Openen →
CompTox DTXSID (EPA)DTXSID5020106[4]Openen →
UNII (FDA)PQ6CK8PD0ROpenen →
NSC Number (NCI)33832Openen →
WikiData QIDQ199678Openen →

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

📚 Wetenschappelijke referenties (Chicago Author-Date) (4 bronnen)
  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
  4. U.S. EPA. CompTox Chemicals Dashboard — ToxCast/Tox21 high-throughput screening bioactivity summary (testing coverage, not a hazard finding). Washington, DC: U.S. Environmental Protection Agency. ↗ dotyczy: CompTox DTXSID (EPA)
📡 Spectroscopie — CAS 50-81-7MolGod_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

De gegevens worden eenmalig opgehaald (JCAMP-DX-parser) en opgeslagen in de lokale database van de plug-in. Geen dubbele downloads, geen NIST-verzoeken bij volgende keren openen. Licenties worden gerespecteerd (alleen een deeplink en een eigen visualisatie worden 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. ⓘ Eén bron ★★☆☆☆

IR — Fourier-transform infrarood

IR — Fourier-transform infrarood wordt geladen…

MS — massaspectrometrie (EI 70eV)

MS — massaspectrometrie (EI 70eV) wordt geladen…

📐 Fysisch-chemische eigenschappen (database) 19 velden MolGod-score: Primair
Eigenschap Waarde Eenheid Conditions Source
Smeltpunt 190 [1][2] °C decomp. CRC Handbook 105th ed. (Haynes 2024)
Kookpunt rozkłada się [1] — przed wrzeniem (decomp.) CRC Handbook 105th ed. (Haynes 2024)
Wateroplosbaarheid 333 [1] g/L 20°C CRC Handbook 105th ed. (Haynes 2024)
Dichtheid (ρ) 1.65 [1][2][3] g/cm³ 20°C CRC Handbook 105th ed. (Haynes 2024)
Brekingsindex (n_D) 1.534 [1] — 20°C, sodium D CRC Handbook 105th ed. (Haynes 2024)
UV λmax 243 [1] nm water (pH 2) CRC Handbook 105th ed. (Haynes 2024)
UV εmax 10000 [1] M⁻¹·cm⁻¹ at λmax CRC Handbook 105th ed. (Haynes 2024)
UV λmax (alt) 265 [1] nm pH 7 (ascorbate anion) CRC Handbook 105th ed. (Haynes 2024)
pKa₁ 4.17 [1] — CRC Handbook 105th ed. (Haynes 2024)
pKa₂ 11.57 [1] — CRC Handbook 105th ed. (Haynes 2024)
logP (octanol/water) -1.85 [1] — CRC Handbook 105th ed. (Haynes 2024)
logD (pH 7) -3.17 [1] — pH 7 CRC Handbook 105th ed. (Haynes 2024)
Diëlektrische constante (ε) 7 [1] — CRC Handbook 105th ed. (Haynes 2024)
Oppervlaktespanning 73.5 [1] mN/m CRC Handbook 105th ed. (Haynes 2024)
Soortelijke warmte (cp) 1.171 [1] J/(g·K) CRC Handbook 105th ed. (Haynes 2024)
Thermische geleidbaarheid (k) 0.4 [1] W/(m·K) CRC Handbook 105th ed. (Haynes 2024)
Dipoolmoment (μ) 4.2 [1] D CRC Handbook 105th ed. (Haynes 2024)
ΔH smelten 21 [1] kJ/mol at mp CRC Handbook 105th ed. (Haynes 2024)
Oplosbaarheid in ethanol 20 [1] g/L 25°C CRC Handbook 105th ed. (Haynes 2024)
📚 Wetenschappelijke referenties (Chicago Author-Date) (3 bronnen)
  1. Rumble, J.R., ed. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press, 2024. ↗ dotyczy: Smeltpunt · Kookpunt · Wateroplosbaarheid · Dichtheid (ρ) · Brekingsindex (n_D) · UV λmax · UV εmax · UV λmax (alt) · pKa₁ · pKa₂ · logP (octanol/water) · logD (pH 7) · Diëlektrische constante (ε) · Oppervlaktespanning · Soortelijke warmte (cp) · Thermische geleidbaarheid (k) · Dipoolmoment (μ) · ΔH smelten · Oplosbaarheid in ethanol
  2. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Smeltpunt · Dichtheid (ρ)
  3. NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. ↗ dotyczy: Dichtheid (ρ)

De fysisch-chemische waarden zijn afkomstig van de onafhankelijke, peer-reviewed bronnen die hierboven zijn vermeld.

🔄 Omrekenaar voor concentratie-eenheden LIVE MolGod_UNITCONV_1

Voer de concentratie L-Ascorbic Acid in een willekeurige eenheid in — de rest wordt automatisch berekend.

MW: 176.12 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 ↗

🛡️ Veiligheid — CAS 50-81-7MolGod_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).

⚠ Waarschuwing (Warning)
GHS07 — Irriterend / schadelijk
GHS07 Irriterend / schadelijk

🚨 Gevarenaanduidingen (H)

  • H302 — Schadelijk bij inslikken.

🛡 Voorzorgsmaatregelen (P)

  • P264 — Na het werken met dit product … grondig wassen.
  • P270 — Niet eten, drinken of roken tijdens het gebruik van dit product.
  • P301+P312 — NA INSLIKKEN: Bij onwel voelen een ANTIGIFCENTRUM/arts/… raadplegen.
  • P330 — De mond spoelen.
  • P501 — Inhoud/verpakking afvoeren naar …

⚠ 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.

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: 50-81-7 · 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-methoden (klaar om te importeren) (1)

C18 · purity · agilent

Method Summary

Kolumna: C18 150 × 4.6 mm, 5 μm

Runtime: 23 min · Rt: 2 min · λ: 210 nm

Column Selection

Typ: C18 · Wymiary: 150 × 4.6 mm, 5 μm

C18 daje wystarczającą retencję dla związków hydrofilowych

  • Agilent Zorbax Eclipse Plus C18
  • Waters Symmetry C18
  • Phenomenex Luna C18(2)
Mobile Phase

A: Woda + 10mM bufor wodorowęglanu amonu (pH 7, bufor NH4HCO3)

B: Acetonitryl

🔬 Dostępność + substytuty
ℹ️ Single-CAS Integrity: De volgende oplosmiddelen zijn analytische hulpmiddelen (HPLC mobiele fase) — NIET de geanalyseerde stof. De waarden die in andere accordeons worden getoond (MW, GHS, toxicologie) hebben betrekking op het huidige molecuul, niet op deze oplosmiddelen. Uitzondering: Single-CAS Integrity (categorie "oplosmiddelen/buffers/analytische methoden").
FaseOplosmiddel / CASStatusActie
AWoda + 10mM bufor wodorowęglanu amonu
CAS 7732-18-5		controleren…
BAcetonitryl
CAS 75-05-8		controleren…
Gradient Program
Time (min)% BFlow
0.005.01.00
2.005.01.00
15.0050.01.00
17.0050.01.00
18.005.01.00
23.005.01.00
Detection Settings

λ primary: 210 nm · reference: 310 nm · bandwidth: 4 nm

Validation Parameters

QC: Resolution ≥2.0 · Tailing ≤1.5 · RSD ≤2%

Uwagi:

  • Predykowany Rt < 3 min — rozważ wolniejszy gradient

Referencje:

  • USP <621> Chromatography
  • ICH Q2(R1) Validation of Analytical Procedures
  • Snyder LR, Kirkland JJ, Dolan JW (2010). Introduction to Modern Liquid Chromatography, 3rd ed.
Download Method
📊 Validatie van de HPLC-methode (ICH Q2(R1)) PARTIAL

3 of 3 critical 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 6 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 verwachte retentietijd in de methodedatabase van de plug-in
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).
🧪 Oplosbaarheid en compatibiliteit met oplosmiddelen MolGod_SOLUB_1
Molecuul
L-Ascorbic Acid
Formule
C6H8O6
logP (XLogP3)
-1.60
Massa (g/mol)
176.12
Polariteit
Hydrofiel (polair)

⚠️ HSP-schatting (literatuur / group contribution). Indicatieve gegevens — vervangen geen experimenteel onderzoek.

Ra < R₀ = dobra mieszalność · Ra < 1,5×R₀ = graniczna · powyżej = słaba (R₀ — promień sfery Hansena tej molekuły) Dla tej molekuły R₀ = 18.

Oplosmiddel Compat. Ra Visueel GC-MS HPLC Toepassingen Referenties
Water (H₂O)333 g/L (pomiar)14.1
✗ NieA (aqueous) (RP)
buffercelkweekanalytischextractie (hydrofiel)
Ethanol (EtOH)+ Goed14.1
✗ NieA/B modifier (RP/NP)
extractiespectroscopie (UV-Vis)syntheseHPLC-modifier
Methanol (MeOH)+ Goed11.7
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone~ Gem.24.9
✗ NieB modifier (NP)
GC headspacekristallisatieontvettingsynthese
Acetonitrile (ACN)~ Gem.25.9
✗ NieB (RP) (RP)
HPLC-eluens (gouden standaard)LC-MS (wolny cut-off UV 190 nm)peptideanalyse
DMSO~ Gem.20.5
✗ NieN/A (N/A)
NMR (d6-DMSO)celbiologie (cryopreservatie)medicijnafgiftesynthese
THF~ Gem.24.5
✗ NieB (NP) (NP)
GPC/SEC (polymeeranalyse)Grignard-syntheseorganometaalverbindingen
DCM (CH₂Cl₂)~ Gem.25.7
✓ TakB (NP) (NP)
extractieNP-HPLCGC-MSkristallisatie (antisolvent)
Chloroform (CHCl₃)− Slecht27.3
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)lipide-extractie (Folch-methode)NP-TLC
Hexane− Slecht34.7
✓ TakA (NP) (NP)
NP-HPLColie-extractie (lipiden)GC-MSTLC (NP)
Toluene− Slecht31.3
✓ TakB (NP) (NP)
NMR (d8-toluene)syntheseDean-Stark azeotrope droging
📚 Wetenschappelijke referenties voor oplosmiddelen (Chicago Author-Date) — klik om uit te vouwen

11 oplosmiddelen · 54 volledige citaties (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — 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 50-81-7 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

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

🧮 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
Ascorbinezuur• l-ascorbic acid / ascorbic acid• CAS: 50-81-7• EC: 200-066-2• Formule: C6H8O6• Massa: 176.12 g/molWAARSCHUWINGGHS-GEVARENAANDUIDINGEN:(zelfclassificatie leveranciers — niet-bindend)H302: Schadelijk bij inslikken.P301+P312 P330 P501 P264 P270Uitsluitend voor laboratoriumgebruik!DH ScientificScience first. Commerce as consequence.Batchnr.: Nettogewicht: Prod.:
Deskryptory Lipinskiego (struktura)
ADMET-voorspellingen worden geladen…
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📚 Overzicht van de wetenschappelijke literatuur — CAS 50-81-7MolGod_LITHUB_MAIN
⭐ Belangrijkste bevindingen (wetenschappelijke literatuur) 11 publicaties
🏆 CAS 50-81-7 — multi-criteria ranking (W12): 30% citaties · 20% recentheid · 20% onderwerp · 15% historisch · 15% open access.
  1. #1
    Carr, A.C.; Maggini, S. (2017) · Nutrients
    Waarom het belangrijk is: Verplicht citaat (canon) · grote impact (1490 citaties)
    SCORE 13.87 Farmacologie MUST-CITE Citaties: 1490 DOI ↗
  2. #2
    Levine, M.; Conry-Cantilena, C.; Wang, Y.; Welch, R.W.; Washko, P.W. et al. (1996) · Proceedings of the National Academy of Sciences
    Waarom het belangrijk is: Verplicht citaat (canon) · grote impact (1320 citaties)
    SCORE 13.21 Mechanisme MUST-CITE Citaties: 1320 DOI ↗
  3. #3
    Padayatty, S.J.; Katz, A.; Wang, Y.; Eck, P.; Kwon, O. et al. (2003) · Journal of the American College of Nutrition
    Waarom het belangrijk is: Verplicht citaat (canon) · grote impact (1210 citaties) · overzichtsartikel
    SCORE 11.5 Overzicht MUST-CITE Citaties: 1210 DOI ↗
  4. #4
    Reichstein, T.; Grüssner, A.; Oppenauer, R. (1933) · Helvetica Chimica Acta
    Waarom het belangrijk is: Verplicht citaat (canon) · grote impact (1100 citaties) · historisch artikel (1933)
    SCORE 11.38 Historisch MUST-CITE Citaties: 1100 DOI ↗
  5. #5
    Pauling, L. (1970) · Proceedings of the National Academy of Sciences
    Waarom het belangrijk is: Verplicht citaat (canon) · 860 citaties
    SCORE 11.06 Historisch MUST-CITE Citaties: 860 DOI ↗
  6. #6
    Englard, S.; Seifter, S. (1986) · Annual Review of Nutrition
    Waarom het belangrijk is: Verplicht citaat (canon) · 890 citaties · overzichtsartikel
    SCORE 10.65 Overzicht MUST-CITE Citaties: 890 DOI ↗
  7. #7
    Ngo, B.; Van Riper, J.M.; Cantley, L.C.; Yun, J. (2019) · Nature Reviews Cancer
    Waarom het belangrijk is: Verplicht citaat (canon) · 380 citaties
    SCORE 10.44 Farmacologie MUST-CITE Citaties: 380 DOI ↗
  8. #8
    Mandl, J.; Szarka, A.; Bánhegyi, G. (2009) · British Journal of Pharmacology
    Waarom het belangrijk is: Verplicht citaat (canon) · 540 citaties · overzichtsartikel
    SCORE 10 Overzicht MUST-CITE Citaties: 540 DOI ↗
  9. #9
    Nováková, L.; Solich, P.; Solichová, D. (2002) · TrAC Trends in Analytical Chemistry
    Waarom het belangrijk is: Verplicht citaat (canon) · 290 citaties
    SCORE 8.99 Analytiek MUST-CITE Citaties: 290 DOI ↗
  10. #10
    Hancock, R.D.; Viola, R. (2007) · Critical Reviews in Plant Sciences
    Waarom het belangrijk is: Verplicht citaat (canon) · 260 citaties
    SCORE 8.85 Industrie MUST-CITE Citaties: 260 DOI ↗
  11. #11
    Padayatty, S.J.; Sun, A.Y.; Chen, Q.; Espey, M.G.; Drisko, J.; Levine, M. (2010) · PLoS ONE
    Waarom het belangrijk is: Verplicht citaat (canon) · 420 citaties
    SCORE 7.87 Farmacologie MUST-CITE Citaties: 420 DOI ↗
📈 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: -1.6 (PubChem XLogP3)
  • Ramp: 5% → 95% B, 10 min
  • Totale analysetijd: 23 min
t (min) %A %B flow (mL/min) Opmerking
0 95 5 1 start (evenwicht)
2 95 5 1 einde van de initiële hold
12 5 95 1 einde van de LSS-ramp
17 5 95 1 kolomspoeling
18 95 5 1 terug naar init
23 95 5 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.

REST: /wp-json/molgod/v1/hplc/gradient/50-81-7

🌈 Detector + golflengte (UV/Vis) 243 nm
VerbindingAscorbic acid (Vitamin C)
λmax243 nm
λmin220 nm
εmax (M⁻¹·cm⁻¹)7 700
Oplosmiddel (referentie)water (pH 2)
Voorgestelde λ243 nm
Aanbevolen detectorUV
AlternatievenPDA/DAD, MS, FLD

Gegevensbron: Skoog 2017

📚 Wetenschappelijke referenties (Chicago Author-Date) 10 refs

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 →

REST: /wp-json/molgod/v1/hplc/detector/50-81-7

📐 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 ↗]
📊 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.
🧪 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.
📋 Status prawny (REACH / TSCA / UK)MolGod_REG_2
JurysdykcjaListaStatusSunset
EUFoodAdd_1333_2008authorised—
⚗️ Jonizacja w funkcji pH (Henderson-Hasselbalch)MolGod_PHION_1

Typ: Kwas · pKa: 4.1 · pKa2: 11.6

024681012140%50%100%% zjonizowany% niejonowypH
pH% jonowy% niejonowy
00.0 %100.0 %
20.8 %99.2 %
444.3 %55.7 %
698.8 %1.2 %
8100.0 %0.0 %
10100.0 %0.0 %
12100.0 %0.0 %
14100.0 %0.0 %
Źródła dla tej substancji (10)
  • CRC Handbook 91st ed.
    Lide, David R., ed. 2010. CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press.
  • CRC Handbook 105th ed.
    Rumble, John R., Thomas J. Bruno, Maria J. Doa, and Donald R. Burgess, eds. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton, FL: CRC Press.
  • NIST WebBook — link
    Linstrom, Peter J., and William G. Mallard, eds. 2024. NIST Chemistry WebBook. NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology.
  • PubChem CID 54670067 — link
    Kim, Sunghwan, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. PubChem CID 54670067.
  • DrugBank DB00126 — link
    Knox, Craig, Mike Wilson, Christen M. Klinger, Mark Franklin, Eponine Oler, Alex Wilson, Allison Pon, et al. 2024. "DrugBank 6.0: the DrugBank Knowledgebase for 2024." Nucleic Acids Research 52 (D1): D1265-D1275. DrugBank ID DB00126.
  • ChEMBL CHEMBL196 — link
    Zdrazil, Barbara, Eloy Felix, Fiona Hunter, Emma J. Manners, James Blackshaw, Sybilla Corbett, Marleen de Veij, et al. 2024. "The ChEMBL Database in 2023." Nucleic Acids Research 52 (D1): D1180-D1192. ChEMBL ID CHEMBL196.
  • KEGG COMPOUND C00072 — link
    Kanehisa, Minoru, Miho Furumichi, Yoko Sato, Masayuki Kawashima, and Mari Ishiguro-Watanabe. 2023. "KEGG for taxonomy-based analysis of pathways and genomes." Nucleic Acids Research 51 (D1): D587-D592.
  • IUPAC
    Serjeant, E. P., and Boyd Dempsey. 1979. Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. Oxford: Pergamon Press.
  • NIST
    Goldberg, Robert N., Nand Kishore, and Rebecca Lennen. 2002. "Thermodynamic Quantities for the Ionization Reactions of Buffers." Journal of Physical and Chemical Reference Data 31 (2): 231-370.
Bibliografia metody (Chicago)
  • Henderson, L. J. 1908. "Concerning the Relationship between the Strength of Acids and Their Capacity to Preserve Neutrality." American Journal of Physiology 21 (4): 173-179.
  • Hasselbalch, K. A. 1917. "Die Berechnung der Wasserstoffzahl des Blutes aus der freien und gebundenen Kohlensäure desselben." Biochemische Zeitschrift 78: 112-144.
  • Po, Henry N., and N. M. Senozan. 2001. "The Henderson-Hasselbalch Equation: Its History and Limitations." Journal of Chemical Education 78 (11): 1499-1503.
  • Avdeef, Alex. 2012. "Absorption and Drug Development: Solubility, Permeability, and Charge State." 2nd ed. Wiley.
  • Avdeef, Alex. 2007. "Solubility of sparingly-soluble ionizable drugs." Advanced Drug Delivery Reviews 59 (7): 568-590.
  • Volgyi, Gergely, et al. 2007. "Potentiometric and spectrophotometric pKa determination of water-insoluble compounds." Analytica Chimica Acta 583 (2): 418-428.
  • Fini, Adamo, Giuseppe Fazio, and Giuseppina Feroci. 1997. "Solubility and solubilization properties of non-steroidal anti-inflammatory drugs." Pharmaceutica Acta Helvetiae 70 (4): 305-318.
  • Mauger, John W., Anthony N. Paruta, and Robert J. Gerraughty. 1972. "Solubilities of sulfadiazine, sulfisomidine, and sulfadimethoxine." Journal of Pharmaceutical Sciences 61 (1): 94-97.
  • Lyman, Warren J., William F. Reehl, and David H. Rosenblatt. 1990. "Handbook of Chemical Property Estimation Methods." American Chemical Society.
  • Marcus, Yizhak. 1998. "The Properties of Solvents." Wiley.
  • Serjeant, E. P., and Boyd Dempsey. 1979. Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. Oxford: Pergamon Press.
  • Perrin, Douglas D. 1965. Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC. London: Butterworths.
  • Goldberg, Robert N., Nand Kishore, and Rebecca Lennen. 2002. "Thermodynamic Quantities for the Ionization Reactions of Buffers." Journal of Physical and Chemical Reference Data 31 (2): 231-370.
  • Rumble, John R., Thomas J. Bruno, Maria J. Doa, and Donald R. Burgess, eds. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton, FL: CRC Press.
  • Lide, David R., ed. 2010. CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press.
  • Kim, Sunghwan, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380.
  • Knox, Craig, Mike Wilson, Christen M. Klinger, Mark Franklin, Eponine Oler, Alex Wilson, Allison Pon, et al. 2024. "DrugBank 6.0: the DrugBank Knowledgebase for 2024." Nucleic Acids Research 52 (D1): D1265-D1275.
  • Zdrazil, Barbara, Eloy Felix, Fiona Hunter, Emma J. Manners, James Blackshaw, Sybilla Corbett, Marleen de Veij, et al. 2024. "The ChEMBL Database in 2023." Nucleic Acids Research 52 (D1): D1180-D1192.
  • Kanehisa, Minoru, Miho Furumichi, Yoko Sato, Masayuki Kawashima, and Mari Ishiguro-Watanabe. 2023. "KEGG for taxonomy-based analysis of pathways and genomes." Nucleic Acids Research 51 (D1): D587-D592.
  • Linstrom, Peter J., and William G. Mallard, eds. 2024. NIST Chemistry WebBook. NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology.
  • Nelson, David L., and Michael M. Cox. 2017. Lehninger Principles of Biochemistry. 7th ed. New York: W. H. Freeman.
📈 UV-VIS-spectrumvoorspeller (200-400 nm) λmax 243 nm MolGod_UVVIS_1
0%25%50%75%100%200250300350400243 nmA = ε·c·lA / Aₘₐₓ (%)
VerbindingAscorbic acid (Vitamin C)
λmax243 nm
λmin220 nm
εmax (M⁻¹·cm⁻¹)7 700
Oplosmiddel (query)water
Oplosmiddel (referentie)water (pH 2)
Concentratie (M)1e-4
Weglengte (cm)1
FWHM van de curve46 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. Ke Z; Zhang Y; Jiang X; Luo J; Chen H; Ma Y. 2026. "Ascorbic acid enhances antidepressant-like efficacy of esketamine: Hippocampal TARP-γ8-containing AMPA receptors mediate synaptic modulation." Neurotherapeutics : the journal of the American Society for Experimental NeuroTherapeutics. https://doi.org/10.1016/j.neurot.2025.e00786. [tło tematyczne — CAS niezweryfikowany w tej publikacji] [DOI]
  2. Zou Y; Zhang M; Zhou D; Chi C; Wu F; Ding CF. 2025. "Identification and characterization of chiral vitamin C using ion mobility and theoretical calculation." Analytical and bioanalytical chemistry. https://doi.org/10.1007/s00216-025-05855-7. [DOI]
  3. Tarhouchi S; Hlaibi M. 2024. "Kinetic control aspects and mechanisms in oriented membrane processes for extraction and recovery of ascorbic acid compound." Environmental science and pollution research international. https://doi.org/10.1007/s11356-024-35453-6. [DOI]
  4. Begimbetova D; Burska AN; Baltabekova A; Kussainova A; Kukanova A; Fazyl F. 2024. "The Vitamin C Enantiomers Possess a Comparable Potency in the Induction of Oxidative Stress in Cancer Cells but Differ in Their Toxicity." International journal of molecular sciences. https://doi.org/10.3390/ijms25052531. [DOI]
  5. Li J; Du N; Guan R; Zhao S. 2023. "Construction of a Chiral Fluorescent Probe for Tryptophan Enantiomers/Ascorbic Acid Identification." ACS applied materials & interfaces. https://doi.org/10.1021/acsami.3c02423. [tło tematyczne — CAS niezweryfikowany w tej publikacji] [DOI]
  6. Maneffa AJ, Harrison AB, Radford SJ, Whitehouse AS, Clark JH, Matharu AS.. 2020. "Deep Eutectic Solvents Based on Natural Ascorbic Acid Analogues and Choline Chloride." . https://doi.org/10.1002/open.202000020. [DOI]
  7. el-Hady DA; Gotti R; el-Maali NA. 2008. "Selective determination of catechin, epicatechin and ascorbic acid in human urine using chiral capillary electrophoresis." Journal of separation science. https://doi.org/10.1002/jssc.200700638. [DOI]
  8. Grisar JM; Marciniak G; Bolkenius FN; Verne-Mismer J; Wagner ER. 1995. "Cardioselective ammonium, phosphonium, and sulfonium analogues of alpha-tocopherol and ascorbic acid that inhibit in vitro and ex vivo lipid peroxidation and scavenge superoxide radicals." Journal of medicinal chemistry. https://doi.org/10.1021/jm00015a010. [DOI]
  9. 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]
  10. 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]
  11. 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.
  12. 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.
  13. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  14. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  15. 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.
  16. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  17. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  18. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  19. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  20. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
  21. 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]
  22. 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]
  23. 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.
  24. Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.
🔍 Bevestiging door onafhankelijke bronnen SINGLE λmax = 245 nm (1 bronnen, ±5 nm)
  • 🗃️ database Kim, Sunghwan, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. https://doi.org/10.1093/nar/gkac956. UV spectrum data for CAS 50-81-7 sourced from Hazardous Substances Data Bank (HSDB). PubChem CID: 54670067. Accessed 2026. λ=245 nm
  • 📚 textbook Dulski, Thomas R.. 2017. "UV/Visible Molecular Absorption Spectrophotometry." Trace Elemental Analysis of Metals: 177-252. https://doi.org/10.1201/9780203735299-5. [DOI]
  • 📚 textbook Anonymous. 1989. "Some Applications of Uv and Vis Spectrophotometry." Studies in Analytical Chemistry: 260-303. https://doi.org/10.1016/b978-0-444-98882-9.50012-8. [DOI]
  • 📚 textbook Anonymous. 1989. "Basis of Spectrophotometry in the Uv and Vis Regions." Studies in Analytical Chemistry: 13-46. https://doi.org/10.1016/b978-0-444-98882-9.50005-0. [DOI]

REST: /wp-json/molgod/v1/spectra/uv-vis/50-81-7?solvent=water&path_length_cm=1

🔄 Analiza chiralna / enancjomery chiralnaMolGod_CHIRAL_1

Stereochemia, skręcalność właściwa i rekomendowana kolumna chiralna HPLC dla CAS 50-81-7 (CIP per Cahn-Ingold-Prelog 1966).

Voorspellende gegevens — CIP-configuratie afgeleid uit de SMILES-structuur. De specifieke rotatie en kolomkeuze zijn geschatte waarden. Verifieer met ChemSpider/PubChem en een CD-spectrum vóór analytisch gebruik.

Centra stereogeniczne
2
Konfiguracja
(S) — konfiguracja absolutna (CIP)
Skręcalność właściwa [α]D20
23,00°
(+) prawoskrętne • rozp.: H2O • c=1, 23°C
Rekomendowana kolumna HPLC
Chiralpak IC
Faza ruchoma (eluent)
MeCN / H2O / TFA 70:30:0.1
Bibliografie (Chicago auteur-datum)
  • Eliel, Ernest L., Samuel H. Wilen, and Lewis N. Mander. 1994. "Stereochemistry of Organic Compounds." New York: Wiley.
  • Cahn, Robert S., Christopher Ingold, and Vladimir Prelog. 1966. "Specification of Molecular Chirality." Angewandte Chemie International Edition 5 (4): 385-415. https://doi.org/10.1002/anie.196603851.
  • Subramanian, Ganapathy, ed. 2007. "Chiral Separation Techniques: A Practical Approach." 3rd ed. Weinheim: Wiley-VCH.
  • Francotte, Eric, and Wolfgang Lindner, eds. 2006. "Chirality in Drug Research." Weinheim: Wiley-VCH.
  • U.S. FDA. 1992. "FDA's Policy Statement for the Development of New Stereoisomeric Drugs." Chirality 4 (5): 338-340. https://doi.org/10.1002/chir.530040513.
  • Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  • Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  • 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.
  • Easson, Leslie H., and Edgar Stedman. 1933. "Studies on the relationship between chemical constitution and physiological action: molecular dissymmetry and physiological activity." Biochemical Journal 27 (4): 1257-1266. https://doi.org/10.1042/bj0271257.
  • Pirkle, William H., and Thomas C. Pochapsky. 1989. "Considerations of chiral recognition relevant to the liquid chromatography separation of enantiomers." Chemical Reviews 89 (2): 347-362. https://doi.org/10.1021/cr00092a006.
  • Dale, James A., and Harry S. Mosher. 1973. "Nuclear magnetic resonance enantiomer reagents: configurational correlations via nuclear magnetic resonance chemical shifts of diastereomeric mandelate, O-methylmandelate, and α-methoxy-α-trifluoromethylphenylacetate (MTPA) esters." Journal of the American Chemical Society 95 (2): 512-519. https://doi.org/10.1021/ja00783a034.
  • Beesley, Thomas E., and Raymond P. W. Scott. 1998. Chiral Chromatography. Chichester: John Wiley & Sons.
  • Allenmark, Stig G. 1991. Chromatographic Enantioseparation: Methods and Applications. 2nd ed. New York: Ellis Horwood.
  • Wainer, Irving W., ed. 1993. Drug Stereochemistry: Analytical Methods and Pharmacology. 2nd ed. New York: Marcel Dekker.
  • Aboul-Enein, Hassan Y., and Irving W. Wainer, eds. 1997. The Impact of Stereochemistry on Drug Development and Use. New York: John Wiley & Sons.
  • Ahuja, Satinder, ed. 2000. Chiral Separations by Liquid Chromatography. ACS Symposium Series 471. Washington, DC: American Chemical Society.
  • Maier, Norbert M., Pilar Franco, and Wolfgang Lindner. 2001. "Separation of enantiomers: needs, challenges, perspectives." Journal of Chromatography A 906 (1-2): 3-33. https://doi.org/10.1016/S0021-9673(00)00532-X.
  • Schurig, Volker. 2001. "Separation of enantiomers by gas chromatography." Journal of Chromatography A 906 (1-2): 275-299. https://doi.org/10.1016/S0021-9673(00)00505-7.
  • Berthod, Alain. 2009. "Chiral recognition mechanisms with macrocyclic glycopeptide selectors." Chirality 21 (1): 167-175. https://doi.org/10.1002/chir.20600.
  • Okamoto, Yoshio, and Eiji Yashima. 1998. "Polysaccharide derivatives for chromatographic separation of enantiomers." Angewandte Chemie International Edition 37 (8): 1020-1043. https://doi.org/10.1002/(SICI)1521-3773(19980504)37:8<1020::AID-ANIE1020>3.0.CO;2-5.
  • Lämmerhofer, Michael. 2010. "Chiral recognition by enantioselective liquid chromatography: mechanisms and modern chiral stationary phases." Journal of Chromatography A 1217 (6): 814-856. https://doi.org/10.1016/j.chroma.2009.10.022.
  • Caner, Hava, Eli Groner, Liron Levy, and Israel Agranat. 2004. "Trends in the development of chiral drugs." Drug Discovery Today 9 (3): 105-110. https://doi.org/10.1016/S1359-6446(03)02904-0.
  • Agranat, Israel, Hava Caner, and John Caldwell. 2002. "Putting chirality to work: the strategy of chiral switches." Nature Reviews Drug Discovery 1 (10): 753-768. https://doi.org/10.1038/nrd915.
  • Crosby, John. 1991. "Synthesis of optically active compounds: a large-scale perspective." Tetrahedron 47 (27): 4789-4846. https://doi.org/10.1016/S0040-4020(01)80950-6.
  • Nguyen, Lien Ai, Hua He, and Chuong Pham-Huy. 2006. "Chiral drugs: an overview." International Journal of Biomedical Science 2 (2): 85-100.
  • Eriksson, Tommy, Sven Björkman, and Peter Höglund. 2001. "Clinical pharmacology of thalidomide." European Journal of Clinical Pharmacology 57 (5): 365-376. https://doi.org/10.1007/s002280100320.
  • Evans, Andrew M. 2007. "Comparative pharmacology of S(+)-ibuprofen and (RS)-ibuprofen." Clinical Rheumatology 20 (Suppl 1): S9-S14. https://doi.org/10.1007/BF03342661.
  • IUPAC. 1996. "Basic terminology of stereochemistry (IUPAC recommendations 1996)." Pure and Applied Chemistry 68 (12): 2193-2222. https://doi.org/10.1351/pac199668122193.
  • Mislow, Kurt, and Jay Siegel. 1984. "Stereoisomerism and local chirality." Journal of the American Chemical Society 106 (11): 3319-3328. https://doi.org/10.1021/ja00323a043.
  • Francotte, Eric R. 2001. "Enantioselective chromatography as a powerful alternative for the preparation of drug enantiomers." Journal of Chromatography A 906 (1-2): 379-397. https://doi.org/10.1016/S0021-9673(00)00951-1.
  • Welch, Christopher J. 1994. "Evolution of chiral stationary phase design in the Pirkle laboratories." Journal of Chromatography A 666 (1-2): 3-26. https://doi.org/10.1016/0021-9673(94)80367-6.
  • Armstrong, Daniel W., Yibing Tang, Shengsheng Chen, et al. 1994. "Macrocyclic antibiotics as a new class of chiral selectors for liquid chromatography." Analytical Chemistry 66 (9): 1473-1484. https://doi.org/10.1021/ac00081a019.
  • Pirkle, William H., Donn W. House, and Jerald M. Finn. 1980. "Broad spectrum resolution of optical isomers using chiral high-performance liquid chromatographic bonded phases." Journal of Chromatography A 192 (1): 143-158. https://doi.org/10.1016/S0021-9673(80)80043-3.
  • European Directorate for the Quality of Medicines & HealthCare. 2024. European Pharmacopoeia 11.5: Chapter 2.2.7 Optical rotation. Strasbourg: EDQM Council of Europe.
  • United States Pharmacopeial Convention. 2024. USP-NF General Chapter <781> Optical Rotation. Rockville, MD: USP.
  • Gal, Joseph. 2017. "Pasteur and the art of chirality." Nature Chemistry 9 (7): 604-605. https://doi.org/10.1038/nchem.2790.
  • Pasteur, Louis. 1848. "Mémoire sur la relation qui peut exister entre la forme cristalline et la composition chimique, et sur la cause de la polarisation rotatoire." Comptes rendus de l'Académie des sciences 26: 535-538.
  • Le Bel, Joseph A. 1874. "Sur les relations qui existent entre les formules atomiques des corps organiques et le pouvoir rotatoire de leurs dissolutions." Bulletin de la Société Chimique de France 22: 337-347.
  • van 't Hoff, Jacobus Henricus. 1874. "Voorstel tot uitbreiding der tegenwoordige in de scheikunde gebruikte structuur-formules in de ruimte, benevens een daarmede samenhangende opmerking omtrent het verband tusschen optisch actief vermogen en chemische constitutie van organische verbindingen." Utrecht: J. Greven.
Uitgebreide bibliografie — 6 bronnen (PubMed/CrossRef/EuropePMC)
  • PUBZou Y; Zhang M; Zhou D; Chi C; Wu F; Ding CF. 2025. "Identification and characterization of chiral vitamin C using ion mobility and theoretical calculation." Analytical and bioanalytical chemistry. https://doi.org/10.1007/s00216-025-05855-7.
  • PUBTarhouchi S; Hlaibi M. 2024. "Kinetic control aspects and mechanisms in oriented membrane processes for extraction and recovery of ascorbic acid compound." Environmental science and pollution research international. https://doi.org/10.1007/s11356-024-35453-6.
  • PUBBegimbetova D; Burska AN; Baltabekova A; Kussainova A; Kukanova A; Fazyl F. 2024. "The Vitamin C Enantiomers Possess a Comparable Potency in the Induction of Oxidative Stress in Cancer Cells but Differ in Their Toxicity." International journal of molecular sciences. https://doi.org/10.3390/ijms25052531.
  • EURManeffa AJ, Harrison AB, Radford SJ, Whitehouse AS, Clark JH, Matharu AS.. 2020. "Deep Eutectic Solvents Based on Natural Ascorbic Acid Analogues and Choline Chloride." . https://doi.org/10.1002/open.202000020.
  • PUBel-Hady DA; Gotti R; el-Maali NA. 2008. "Selective determination of catechin, epicatechin and ascorbic acid in human urine using chiral capillary electrophoresis." Journal of separation science. https://doi.org/10.1002/jssc.200700638.
  • PUBGrisar JM; Marciniak G; Bolkenius FN; Verne-Mismer J; Wagner ER. 1995. "Cardioselective ammonium, phosphonium, and sulfonium analogues of alpha-tocopherol and ascorbic acid that inhibit in vitro and ex vivo lipid peroxidation and scavenge superoxide radicals." Journal of medicinal chemistry. https://doi.org/10.1021/jm00015a010.
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📚 REFERENTIES (Verzamelde bibliografie, Chicago Author-Date) 130 items

Alle wetenschappelijke bronnen die in de accordeons hierboven voor CAS 50-81-7 worden geciteerd.Formaat: Chicago Manual of Style 17e ed., Author-Date-systeem.

🗄️ Wetenschappelijke databanken

  1. NIST. n.d. NIST Chemistry WebBook: CAS 50-81-7. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=50-81-7.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 50-81-7. 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 50-81-7. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=50-81-7.
  5. U.S. EPA. n.d. CompTox Chemicals Dashboard: CAS 50-81-7. Research Triangle Park, NC: U.S. Environmental Protection Agency. https://comptox.epa.gov/dashboard/chemical/details/DTXSID5020106.

📐 Standaarden / Richtlijnen

  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.

📖 Boeken

  1. Rumble, John R., ed. 2024. CRC Handbook of Chemistry and Physics: 105th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  2. 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.
  3. 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.
  4. 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.
  5. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  6. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 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.

🌐 Websites

  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.
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Opis

Charakterystyka

  • Wzór chemiczny: C₆H₈O₆
  • Numer CAS: 50-81-7
  • Masa molowa: 176.12 g/mol
  • Forma: proszek
  • Czystość: ≥99%
  • Inne nazwy: kwas L-askorbinowy, witamina C, L-askorbinian

Zastosowania

  • Używany jako przeciwutleniacz w przemyśle spożywczym – zapobiega utlenianiu produktów.
  • Stosowany w laboratoriach jako reduktor w analizie chemicznej – działa w reakcjach redoks.
  • Wykorzystywany do przygotowania roztworów buforowych – pomaga kontrolować pH.
  • Może służyć do czyszczenia metali – rozpuszcza osady żelaza i miedzi.
  • Stosowany w doświadczeniach edukacyjnych – pokazuje działanie przeciwutleniaczy.

Specyfikacja

Opakowanie: 1000 g (1 kg). Przechowywać w suchym miejscu, w szczelnym pojemniku, w temperaturze pokojowej. Unikać światła słonecznego. Produkt nie nadaje się do spożycia.

Najczęściej zadawane pytania

Czy kwas L-askorbinowy można używać do oczyszczania powierzchni metalowych?

Tak. Kwas L-askorbinowy działa jako łagodny reduktor. Pomaga usuwać rdzę z drobnych elementów metalowych. Nie koroduje powierzchni tak silnie jak mocne kwasy. Czy wiesz, że jest często używany do czyszczenia antyków bez uszkadzania detali?

Czy kwas L-askorbinowy dobrze rozpuszcza się w wodzie?

Tak. Łatwo rozpuszcza się w wodzie – daje klarowny roztwór. Rozpuszczalność wynosi około 330 g/L w 20°C. Nie rozpuszcza się w tłuszczach. Czy wiesz, że jego rozpuszczalność maleje w zimnej wodzie – dlatego lepiej mieszać go w letniej wodzie?

Czym różni się ten kwas od kwasu cytrynowego przy użyciu w doświadczeniach chemicznych?

Kwas L-askorbinowy to silniejszy przeciwutleniacz niż kwas cytrynowy. Nie działa jako kwas tak mocno, ale lepiej chroni przed utlenianiem. Kwas cytrynowy lepiej chelatuje metale. Oba są bezpieczne w użyciu laboratoryjnym przy ostrożności.

Źródła i literatura

  • PubChem — National Library of Medicine: Kompletna baza właściwości fizykochemicznych tej substancji (CID 54670067). Zawiera dane spektroskopowe, toksykologiczne i informacje o interakcjach. pubchem.ncbi.nlm.nih.gov
  • Wikipedia PL: Przegląd zastosowań, metod produkcji i właściwości kwasu L-askorbinowego. pl.wikipedia.org
  • Karta charakterystyki (SDS): Według rozporządzenia REACH (WE) 1907/2006 — informacje o bezpieczeństwie, klasyfikacji GHS i oznaczeniu substancji.
  • Rozporządzenie CLP (WE) 1272/2008: Klasyfikacja, oznaczenie i pakowanie substancji chemicznych. H315 (powoduje podrażnienie skóry), H319 (powoduje poważne podrażnienie oczu), P280 (używać rękawic ochronnych).

⚠ UWAGA — ODCZYNNIK CHEMICZNY

Kwas L askorbinowy chemiczny do zastosowań technicznych (C6H8O6) powszechnie znana jako witamina C, kwas askorbinowy to odczynnik chemiczny przeznaczony wyłącznie do zastosowań laboratoryjnych, badawczych i profesjonalnych.
Numer CAS: 50-81-7
Numer WE (EC): 200-066-2
Nazwa IUPAC: kwas (5R)-[(1S)-1,2-dihydroksyetylo]-3,4-dihydroksyfuran-2(5H)-on
Nazwa łacińska (Farmakopea): Acidum ascorbicum

NIE NADAJE SIĘ DO SPOŻYCIA przez ludzi ani zwierzęta. Produkt nie jest lekiem, suplementem diety, kosmetykiem ani środkiem spożywczym. Jakiekolwiek inne zastosowanie niż laboratoryjne lub przemysłowe jest niezgodne z przeznaczeniem produktu.

Wymagane środki ochrony osobistej: rękawice ochronne, okulary lub gogle, fartuch laboratoryjny, praca w dobrze wentylowanym pomieszczeniu lub pod wyciągiem chemicznym.

Przed użyciem zapoznaj się z kartą charakterystyki substancji (SDS/MSDS) zgodnie z rozporządzeniem REACH (WE) 1907/2006 oraz CLP (WE) 1272/2008. Sprzedaż wyłącznie do celów technicznych.

Opinie

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