Manufacturer since 2009 · Tongling, Anhui ISO certified Licensed for hazardous & precursor chemicals
[email protected] · +86 186 5620 1888
Eapearl Chemical
Maleic anhydride, CAS 108-31-6 — chemical product label

Maleic anhydride

MA

CAS 108-31-6 EC 203-571-6 C4H2O3 Precursor SDS published CLP Danger

⚠️ Note: This safety data sheet is provided in English; a localized version is being prepared.

MolGod_SDSCARD_1
REACH 2020/878
v2 · 08.09.2026

Specification

Product NameMaleic anhydride
Other NamesMA
CAS No.108-31-6
EINECS No.203-571-6
MFC4H2O3
Molecular weight98.06
Purity99.5%
AppearanceColorless orthorhombic needle-like crystals
Density1.48
Melting point200 °C (lit.)
Boiling point51-56 °C (lit.)
flash (ing) point218°F

Values are typical for the standard grade. Tighter specifications are available — state the target in your inquiry and we confirm against the production batch.

Hazard classification

GHS pictogram GHS05 — Corrosive GHS pictogram GHS07 — Irritant / harmful GHS pictogram GHS08 — Health hazard

Danger

Harmonised classification (EU) — ECHA Annex VI (harmonised, ATP 23; 2026-07-07)

  • H302 Harmful if swallowed
  • H372 Causes damage to organs through prolonged or repeated exposure
  • H314 Causes severe skin burns and eye damage
  • H318 Causes serious eye damage
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
  • H317 May cause an allergic skin reaction
Full safety data sheet CLP label (EN)

European Chemicals Agency. "maleic anhydride, Index No. 607-096-00-9." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Substance identity verified against the registry entry on 2026-09-02.

Packaging and shipping

Drum25kg
IBC Drum100kg
ISO tank (20ft)24–26 m³
ISO tank (40ft)48–50 m³
Maleic anhydride
Maleic anhydride
Maleic anhydride

Maleic anhydride is an important highly reactive organic acid anhydride and a key chemical platform molecule. Its molecular structure contains both a highly reactive acid anhydride ring and a carbon-carbon double bond. Due to this characteristic, it serves as the foundation for synthesizing thousands of downstream products such as unsaturated polyester resins, food additives, lubricant additives, water treatment agents, and agricultural chemicals, and is widely applied in key fields of the national economy including composite materials, food and beverages, transportation, environmental protection, and agriculture.

Maleic anhydride, a high-performance organic acid anhydride solution, is suitable for applications such as food additives, lubricants, agricultural chemicals, water treatment, papermaking, etc.Maleic anhydride, a high-performance organic acid anhydride solution, is suitable for applications such as food additives, lubricants, agricultural chemicals, water treatment, papermaking, etc.Maleic anhydride, a high-performance organic acid anhydride solution, is suitable for applications such as food additives, lubricants, agricultural chemicals, water treatment, papermaking, etc.

Maleic anhydride, a high-performance organic acid anhydride solution, is suitable for applications such as food additives, lubricants, agricultural chemicals, water treatment, papermaking, etc.

Product Description

Anhui Eapearl Chemical Co., Ltd., as a professional chemical supply chain service provider in China, relies on a mature resource network and strict quality management system to offer customers high-quality maleic anhydride (also known as cis-butylene dianhydride, cis-anhydride) products and market solutions. Maleic anhydride is an important highly reactive organic acid anhydride and a key chemical platform molecule. Its molecular structure contains both highly reactive acid anhydride rings and carbon-carbon double bonds. Due to this characteristic, it serves as the foundation for synthesizing thousands of downstream products such as unsaturated polyester resins, food additives, lubricant additives, water treatment agents, and agricultural chemicals, and is widely used in key fields of the national economy including composite materials, food and beverages, transportation, environmental protection, and agricultural production.

High reactivity: It possesses the dual reaction characteristics of an acid anhydride and an alkene, making it highly prone to reactions such as polymerization, esterification, amide formation, and Diels-Alder reactions. It is an efficient “chemical building block” for constructing complex molecules.

Mainstream production process: Initially, the benzene oxidation method was adopted. Currently, the mainstream technology worldwide is the more economical and environmentally friendly n-butane oxidation method.Anhui Eapearl Chemical maintains stable cooperation with mainstream manufacturers using advanced n-butane processes to ensure high-quality product sources and stable supply. Stable and reliable quality: The industrial-grade maleic anhydride we provide strictly controls key indicators to ensure consistency in product performance during synthesis, meeting the requirements of downstream continuous production.

Maleic anhydride, a high-performance organic acid anhydride solution, is suitable for applications such as food additives, lubricants, agricultural chemicals, water treatment, papermaking, etc.

Maleic anhydride, a high-performance organic acid anhydride solution, is suitable for applications such as food additives, lubricants, agricultural chemicals, water treatment, papermaking, etc.

Delivery&Payment method

Maleic anhydride, a high-performance organic acid anhydride solution, is suitable for applications such as food additives, lubricants, agricultural chemicals, water treatment, papermaking, etc.

Frequently asked

In what packaging is Maleic anhydride shipped?

Standard formats are Drum (25kg), IBC Drum (100kg), ISO tank (20ft) (24–26 m³), ISO tank (40ft) (48–50 m³). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for Maleic anhydride?

Yes. A full safety data sheet for CAS 108-31-6 is published and linked from this page; a signed copy is issued with the shipping documents.

What purity do you supply?

The standard grade is 99.5%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Maleic anhydride

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🧬 3D-molecuulvisualisator
Molecuul laden...
3D-model Maleic Anhydride, CAS 108-31-6, molecuulformule C4H2O3, molaire massa 98.06 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.

📊 Fysisch-chemische gegevens — CAS 108-31-6MolGod_PROPHUB_MAIN
📊 Fysisch-chemische eigenschappen

Snel overzicht

Formule: C4H2O3
MW: 98.06 g/mol
CAS: 108-31-6
🔬 Geavanceerde eigenschappen

Chemische identificatoren

SMILES: C1=CC(=O)OC1=O

Laatst bijgewerkt: niet bevestigd

Chemisch overzicht: Maleic AnhydrideMolGod_OVERVIEW_1
MolecuulformuleC4H2O3[1]
Molecuulmassa98.06 g/mol[1]
Smeltpunt52.78 °C[1][2]
Kookpunt202 °C
Dichtheid1.5 g/cm³
LogP (lipofiliteit)-0.1[1]
IUPAC-naamfuran-2,5-dione[1]
SMILESC1=CC(=O)OC1=O[1]
InChIKeyFPYJFEHAWHCUMM-UHFFFAOYSA-N[1]

Synoniemen: MALEIC ANHYDRIDE · furan-2,5-dione · 2,5-Furandione · 108-31-6 · Toxilic anhydride

Gegevensbronnen: PubChem (NLM/NIH)
Laatst bijgewerkt: 2026-09-21

📚 Wetenschappelijke referenties (Chicago Author-Date) (2 bronnen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecuulformule · Molecuulmassa · Smeltpunt · LogP (lipofiliteit) · IUPAC-naam · SMILES · InChIKey
  2. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Smeltpunt

WETENSCHAPPELIJK ONDERZOEK

[1]CrossRef2016
THE BACK PAGE
(2016). "THE BACK PAGE". The Back Letter. https://doi.org/10.1097/01.back.0000493154.01014.2c
Ga naar het volledige onderzoek ↗
[2]CrossRef2013
Index Volume 31
(2013). "Index Volume 31". Aliso. https://doi.org/10.5642/aliso.20133102.07
Ga naar het volledige onderzoek ↗
[3]CrossRef2006
Reviews
(2006). "Reviews". Soundings. https://doi.org/10.3898/136266206820466264
Ga naar het volledige onderzoek ↗
[4]CrossRef2005
Mededeling
   . (2005). "Mededeling". Tijdschrift voor Psychotherapie. https://doi.org/10.1007/bf03062138
Ga naar het volledige onderzoek ↗
[5]CrossRef2005
Bibliographie
Francis Beaucire. (2005). "Bibliographie". Transports urbains. https://doi.org/10.3917/turb.108.0031
Ga naar het volledige onderzoek ↗
[6]CrossRef1994
Impressum
(1994). "Impressum". Practical Metallography. https://doi.org/10.1515/pm-1994-310209
Ga naar het volledige onderzoek ↗
[7]CrossRef1991
Announcement
(1991). "Announcement". Transfusion. https://doi.org/10.1111/j.1537-2995.1991.tb03219.x
Ga naar het volledige onderzoek ↗
[8]CrossRef1990
Wanted
(1990). "Wanted". Current Anthropology. https://doi.org/10.1086/203815
Ga naar het volledige onderzoek ↗
📚 Wetenschappelijke referenties (Chicago Author-Date) 15 refs · 1 baz

MOLECULE Bibliografie per CAS (live uit 13+ databases)

Bronnen: db:crossref (15)

  1. db:crossref (2016). "THE BACK PAGE". The Back Letter. https://doi.org/10.1097/01.back.0000493154.01014.2c →
  2. db:crossref (2013). "Index Volume 31". Aliso. https://doi.org/10.5642/aliso.20133102.07 →
  3. db:crossref (2006). "Reviews". Soundings. https://doi.org/10.3898/136266206820466264 →
  4. db:crossref    . (2005). "Mededeling". Tijdschrift voor Psychotherapie. https://doi.org/10.1007/bf03062138 →
  5. db:crossref Francis Beaucire. (2005). "Bibliographie". Transports urbains. https://doi.org/10.3917/turb.108.0031 →
  6. db:crossref (1994). "Impressum". Practical Metallography. https://doi.org/10.1515/pm-1994-310209 →
  7. db:crossref (1991). "Announcement". Transfusion. https://doi.org/10.1111/j.1537-2995.1991.tb03219.x →
  8. db:crossref (1990). "Wanted". Current Anthropology. https://doi.org/10.1086/203815 →
  9. db:crossref (1982). "Discussion". Diabetes. https://doi.org/10.2337/diab.31.4.s108 →
  10. db:crossref T. R. PEACE. (1958). "REVIEWS". Forestry. https://doi.org/10.1093/forestry/31.1.108 →
  11. db:crossref (1914). "Personalien". Ophthalmologica. https://doi.org/10.1159/000293736 →
  12. db:crossref (1913). "Correspondence". Scientific American. https://doi.org/10.1038/scientificamerican01111913-31 →
  13. db:crossref (1874). "Canadian Patents". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108b →
  14. db:crossref (1874). "Communications Received". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108 →
  15. db:crossref (1874). "Index of Inventions". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108a →
Regelgevingsstatus van de stof
Deze stof is onderworpen aan reglementaire vereisten: beheer van gevaarlijke afvalstoffen (BDO-register). Details in de sectie "Regelgevingsstatus (REACH/ECHA/CLP)" en op de SDS. Regelgevingsinformatie — beperkt de aankoop in deze winkel niet.
🧮 StoichiometrierekenmachineMolGod_STOICH_1
🧪 Chemische gegevensMolGod_CHEMDATA_1
CAS-nummer
108-31-6
Molecuulformule
C4H2O3
Molaire massa
98.06 g/mol
IUPAC-naam (EN)
furan-2,5-dione
SMILES
C1=CC(=O)OC1=O
InChIKey
FPYJFEHAWHCUMM-UHFFFAOYSA-N
📚 Scientific literature (6 articles)MolGod_LITSCI_1
Filteren:
Sorteren:
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📡 Data sourcesMolGod_SOURCES_1

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2
Temp. wrzenia
200.1
Temp. topnienia
52.9
Density
1.43

Source: PubChem, NIST WebBook. Last updated: date not confirmed

🔍 Externe identificatorenMolGod_EXTID_1
11 van 16 ID-systemen69%
DatabaseIdentificatorActies
CAS Registry Number108-31-6Openen →
PubChem CID7923[1]Openen →
InChIKeyFPYJFEHAWHCUMM-UHFFFAOYSA-N[1]Openen →
SMILESC1=CC(=O)OC1=O[1]
EC Number203-571-6[2]Openen →
HMDBHMDB0254311Openen →
ChemSpider7635[3]Openen →
MeSH UID (NLM)D008299Openen →
UNII (FDA)V5877ZJZ25Openen →
NSC Number (NCI)137653Openen →
WikiData QIDQ412377Openen →

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

📚 Wetenschappelijke referenties (Chicago Author-Date) (3 bronnen)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · 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

Dalsza literatura

Publications thematically related to this CAS. They are not the source of any value given on this card.

Bibliografie (uitgebreid) (9)

  1. ★★★★☆ CANONICAL_PAPERS 💰 Betaalmuur (waarschijnlijk) ❓ niet-geverifieerd Ahmadi H; Abbasifard S; Nowrouzi N et al.. 2025. "Triphenylphosphine-Catalyzed Synthesis of β-Thiopropionate Thioesters or Esters via the Reaction of Maleic Anhydride with Thiols and Alcohols." ChemistryOpen. link [geraadpleegd: 2026-09-23]
  2. ★★★★☆ CANONICAL_PAPERS 💰 Betaalmuur (waarschijnlijk) ❓ niet-geverifieerd Wang G; Xie Y; Qian X et al.. 2022. "Poly(maleic anhydride-alt-1-octadecene)-based bioadhesive nanovehicles improve oral bioavailability of poor water-soluble gefitinib." Drug development and industrial pharmacy. link [geraadpleegd: 2026-09-23]
  3. ★★★★☆ CANONICAL_PAPERS 💰 Betaalmuur (waarschijnlijk) ❓ niet-geverifieerd Pfäffli P; Hämeilä M; Kuusimäki L et al.. 2002. "Determination of maleic anhydride in occupational atmospheres." Journal of chromatography. A. link [geraadpleegd: 2026-09-23]
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Tallon, Michael A.. 2016. "Reactions Involving Maleic Anhydride." Handbook of Maleic Anhydride Based Materials: 59-149. https://doi.org/10.1007/978-3-319-29454-4_2. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Trivedi, B. C., Culbertson, B. M.. 1982. "Production of Maleic Anhydride." Maleic Anhydride: 17-40. https://doi.org/10.1007/978-1-4757-0940-7_2. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  6. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Trivedi, B. C., Culbertson, B. M.. 1982. "Maleic Anhydride in Condensation Polymers." Maleic Anhydride: 479-517. https://doi.org/10.1007/978-1-4757-0940-7_12. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  7. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. 1961. "BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE." Chemical & Engineering News Archive 39 (38): 6. https://doi.org/10.1021/cen-v039n038.p006. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  8. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for maleic anhydride.". https://doi.org/10.3403/00076174. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  9. ★☆☆☆☆ CANONICAL_PAPERS ❓ ? ❓ niet-geverifieerd Zhou L; Zhang W; Zhao C et al.. 2023. "Self-Cross-Linkable Maleic Anhydride Terpolymer Coating with Inherent High Antimicrobial Activity and Low Cytotoxicity." ACS applied materials & interfaces. link [geraadpleegd: 2026-09-23]
📡 Spectroscopie — CAS 108-31-6MolGod_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 ★★☆☆☆ ⓘ Eén bron ★★☆☆☆

IR — Fourier-transform infrarood

IR — Fourier-transform infrarood wordt geladen…

MS — massaspectrometrie (EI 70eV)

MS — massaspectrometrie (EI 70eV) wordt geladen…

Structurele eigenschappenMolGod_STRUCT3D_1

Structurele gegevens worden geladen...

❓ Veelgestelde vragen (5)MolGod_FAQ_1
What is the melting point of 108-31-6?
The melting point of 108-31-6 is 52.9.
Nuttig?
What is the boiling point of 108-31-6?
The boiling point of 108-31-6 is 200.1.
Nuttig?
What is 108-31-6?
108-31-6 (CAS 108-31-6) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Nuttig?
What is the CAS number of 108-31-6?
The CAS number for 108-31-6 is 108-31-6. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Nuttig?
How should 108-31-6 be stored?
108-31-6 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
Nuttig?
➕ Stel een vraag voor
Structuurbestanden downloadenMolGod_STRDL_1

Moleculaire structuurbestanden uit de PubChem-database (NIH). Compatibel met programma's: Avogadro, PyMOL, Jmol, ChemDraw.

Bron: PubChem, National Library of Medicine (NIH). CID: 7923

🔄 Omrekenaar voor concentratie-eenheden LIVE MolGod_UNITCONV_1

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

MW: 98.06 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
Vergelijkbare moleculaire structurenMolGod_SIMSTR_1

Vergelijkbare structuren worden geladen...

🧪 Wizard voor het bereiden van oplossingen WIZARD MolGod_PREP_1
① Selecteer concentratie
② Doelvolume
③ Oplosmiddel

Berekeningen volgens: IUPAC Gold Book ↗, Merck ↗

Computationele chemieMolGod_COMPCHEM_1

Computationele gegevens worden geladen...

🛡️ Veiligheid — CAS 108-31-6MolGod_SAFEHUB_MAIN
Mededeling over gegevensbeperkingen. De veiligheidsinformatie op deze pagina is uitsluitend ter informatie en vervangt geen volledig veiligheidsinformatieblad (SDS). Raadpleeg vóór gebruik van het product het actuele veiligheidsinformatieblad van de fabrikant en de GHS/CLP-richtlijnen. De CLP-indeling geldt voor de zuivere bulkstof, niet voor commerciële formuleringen.

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

⚠️ Gevaar (Danger)
GHS05 — Bijtend
GHS05 Bijtend
GHS07 — Irriterend / schadelijk
GHS07 Irriterend / schadelijk
GHS08 — Gezondheidsgevaar
GHS08 Gezondheidsgevaar

🚨 Gevarenaanduidingen (H)

  • H302 — Schadelijk bij inslikken.
  • H372 — Veroorzaakt schade aan organen bij langdurige of herhaalde blootstelling.
  • H314 — Veroorzaakt ernstige brandwonden en oogletsel.
  • H318 — Veroorzaakt ernstig oogletsel.
  • H334 — Kan bij inademing allergie- of astmasymptomen of ademhalingsmoeilijkheden veroorzaken.
  • H317 — Kan een allergische huidreactie veroorzaken.

🛡 Voorzorgsmaatregelen (P)

  • P233 — In goed gesloten verpakking bewaren.

✓ Geharmoniseerde indeling overeenkomstig bijlage VI bij de CLP-verordening (EG) 1272/2008 (officiële, bindende indeling). Indexnummer: 607-096-00-9.

Referentie (Chicago): European Chemicals Agency. "maleic anhydride, Index No. 607-096-00-9." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

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: 108-31-6 · 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)
📅 Project Planner — Lab Experiment Manager NIEUW

Plan uw volledige laboratoriumproject: voeg experimenten toe met reagentia, replicaten en duur. U ontvangt een Gantt-diagram, een boodschappenlijst (met links naar de winkel!), een budget met 10% marge en een GHS-risicomatrix.

🧪 Oplosbaarheid en compatibiliteit met oplosmiddelen MolGod_SOLUB_1
Molecuul
Maleic Anhydride
Formule
C4H2O3
logP (XLogP3)
-0.10
Massa (g/mol)
98.06
Polariteit
Hydrofiel (polair)

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

Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.
📚 Wetenschappelijke referenties voor oplosmiddelen (Chicago Author-Date) — klik om uit te vouwen

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

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 108-31-6 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

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

⚗️ Controleer de reactiecompatibiliteit MolGod_RXNCOMP_1
2 0 0
Gezondheid: 2/4
Ontvlambaarheid: 0/4
Reactiviteit: 0/4
Volgens NFPA 704 / berekend uit H-codes

Controleer of Maleic Anhydride compatibel is met een ander reagens

📦 Opslagcompatibiliteitsmatrix
Zuren Basen Oxidatoren Ontvlambaar Giftig Gazy
Zuren ✓ ✗ ✗ ✗ ⚠ ✗
Basen ✗ ✓ ⚠ ⚠ ⚠ ⚠
Oxidatoren ✗ ⚠ ✓ ✗ ⚠ ✗
Ontvlambaar ✗ ⚠ ✗ ✓ ⚠ ✗
Giftig ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ Samen te bewaren · ⚠ Voorzichtig · ✗ NIET samen bewaren · OSHA Chemical Segregation ↗

Compatibiliteitsgegevens uit: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 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
Maleic Anhydride• furan-2,5-dione / 2,5-Furandione• IUPAC: furan-2,5-dione• CAS: 108-31-6• EC: 203-571-6• Formule: C4H2O3• Massa: 98.06 g/molGEVAARGHS-GEVARENAANDUIDINGEN:H302 H372 H314 H318 H334 H317P233: In goed gesloten verpakking bewaren.Uitsluitend voor laboratoriumgebruik!Anhui Eapearl Chemical Co., Ltd.12th Floor, Tongguan Number Valley, Tongling, Anhui, China+86 186 5620 1888[email protected]epchems.com
Deskryptory Lipinskiego (struktura)

Radardiagram van drug-likeness (Lipinski Ro5 / Veber). Groene zone = overeenstemming met de criteria.

Voorspellende gegevens — eigenschappen berekend in silico (SMILES/RDKit). Deze vervangen geen klinische studies. Niet gebruiken voor de beoordeling van geneesmiddelen zonder experimentele verificatie.

MW98.1LogP-0.1HBD0HBA3RotB0TPSA43.4 Ų
✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=98)✗ REOS (MW=98)✓ Lead-like Ro3
EigenschapWaardeBeoordeling
Absorptie (GI)hoog✓
BBB-permeabiliteitja (dringt door)
Biobeschikbaarheid (Daina 2017)
55%
CYP450-profielCYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
PAINS-waarschuwingen0✓
Brenk-waarschuwingen0✓
pKa (pH 7.4)4.5 (predicted)
hERG (cardiotox.)✓ nee
P-gp-substraat—
Ames-mutageniteit✓ nee
DILI (hepatotox.)—
LogS (wateroplosb.)—
Bronnen (ADMET-methodologie)
  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. (2016). "THE BACK PAGE". The Back Letter. https://doi.org/10.1097/01.back.0000493154.01014.2c
  22. (2013). "Index Volume 31". Aliso. https://doi.org/10.5642/aliso.20133102.07
  23. (2006). "Reviews". Soundings. https://doi.org/10.3898/136266206820466264
  24.    . (2005). "Mededeling". Tijdschrift voor Psychotherapie. https://doi.org/10.1007/bf03062138
  25. Francis Beaucire. (2005). "Bibliographie". Transports urbains. https://doi.org/10.3917/turb.108.0031
  26. (1994). "Impressum". Practical Metallography. https://doi.org/10.1515/pm-1994-310209
  27. (1991). "Announcement". Transfusion. https://doi.org/10.1111/j.1537-2995.1991.tb03219.x
  28. (1990). "Wanted". Current Anthropology. https://doi.org/10.1086/203815
  29. (1982). "Discussion". Diabetes. https://doi.org/10.2337/diab.31.4.s108
  30. T. R. PEACE. (1958). "REVIEWS". Forestry. https://doi.org/10.1093/forestry/31.1.108
  31. (1914). "Personalien". Ophthalmologica. https://doi.org/10.1159/000293736
  32. (1913). "Correspondence". Scientific American. https://doi.org/10.1038/scientificamerican01111913-31
  33. (1874). "Canadian Patents". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108b
  34. (1874). "Communications Received". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108
  35. (1874). "Index of Inventions". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108a
  36. Tallon, Michael A. 2016. "Reactions Involving Maleic Anhydride." Handbook of Maleic Anhydride Based Materials. DOI: 10.1007/978-3-319-29454-4_2. [DOI ↗]
  37. Tallon, Michael A.. 2016. "Reactions Involving Maleic Anhydride." Handbook of Maleic Anhydride Based Materials: 59-149. https://doi.org/10.1007/978-3-319-29454-4_2. [DOI ↗]
  38. Spridon, Daniela; Panaitescu, Luminita; Ursu, Daniel; et al. 1997. "Synthesis and Biocompatibility of Maleic Anhydride Copolymers: 1. Maleic Anhydride-Vinyl Acetate, Maleic Anhydride-Methyl Methacrylate and Maleic Anhydride-Styrene." Polymer International. DOI: 10.1002/(sici)1097-0126(199706)43:2<175::aid-pi734>3.0.co;2-i. [DOI ↗]
  39. Popa, Iuliana; Offenberg, Hary; Beldie, Camelia; et al. 1997. "Benzocaine modified maleic anhydride copolymers—I. Synthesis and characterization of benzocaine modified poly(maleic anhydride-co-vinyl acetate), poly(maleic anhydride-co-methyl methacrylate) and poly(maleic anhydride-co-styrene)." European Polymer Journal. DOI: 10.1016/s0014-3057(97)00091-8. [DOI ↗]
  40. Trivedi, B. C.; Culbertson, B. M. 1982. "Production of Maleic Anhydride." Maleic Anhydride. DOI: 10.1007/978-1-4757-0940-7_2. [DOI ↗]
  41. Trivedi, B. C.; Culbertson, B. M. 1982. "Maleic Anhydride in Condensation Polymers." Maleic Anhydride. DOI: 10.1007/978-1-4757-0940-7_12. [DOI ↗]
  42. Trivedi, B. C., Culbertson, B. M.. 1982. "Production of Maleic Anhydride." Maleic Anhydride: 17-40. https://doi.org/10.1007/978-1-4757-0940-7_2. [DOI ↗]
  43. Trivedi, B. C., Culbertson, B. M.. 1982. "Maleic Anhydride in Condensation Polymers." Maleic Anhydride: 479-517. https://doi.org/10.1007/978-1-4757-0940-7_12. [DOI ↗]
  44. 1961. "BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE." Chemical & Engineering News Archive. DOI: 10.1021/cen-v039n038.p006. [DOI ↗]
  45. Anonymous. 1961. "BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE." Chemical & Engineering News Archive 39 (38): 6. https://doi.org/10.1021/cen-v039n038.p006. [DOI ↗]
  46. "Specification for maleic anhydride." DOI: 10.3403/00076174. [DOI ↗]
  47. "Specification for maleic anhydride." DOI: 10.3403/00076174u. [DOI ↗]
  48. Anonymous. "Specification for maleic anhydride.". https://doi.org/10.3403/00076174. [DOI ↗]
  49. et al. 2021. "Kinetic fall-off behavior for the Cl + Furan-2,5-dione (C<sub>4</sub>H<sub>2</sub>O<sub>3</sub>, maleic anhydride) reaction." DOI: 10.1039/d0cp06402e. [DOI ↗]
  50. 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 ↗]
  51. Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
  52. Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
  53. Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
  54. Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
  55. 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 ↗]
  56. B. Trivedi. 1995. "Maleic Anhydride." Springer. ↗
  57. PubMed PMID PubChem. (Metadata fetch failed.) ↗
  58. Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
  59. Noureddine Beghidja, Samir Benayache, Fadila Benayache et al. 2015. "Crystal structure of pseudoguainolide." Acta Crystallographica Section E: Crystallographic Communications. DOI: 10.1107/S2056989015002510. [DOI ↗]
  60. et al. 2010. "Synthesis and PGE(2) production inhibition of 1H-furan-2,5-dione and 1H-pyrrole-2,5-dione derivatives." DOI: 10.1016/j.bmcl.2009.11.067. [DOI ↗]
  61. Matías López-Rodríguez, Luis Alberto Loyola, Jorge Bórquez et al. 2008. "Aromaticine, a sesquiterpene lactone from Amblyopappus pusillus." Acta Crystallographica Section E. DOI: 10.1107/S1600536808002729. [DOI ↗]
  62. 1961. "BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE." DOI: 10.1021/cen-v039n038.p006. [DOI ↗]
  63. Lawrence H. Flett. 1952. "Maleic anhydride derivatives." Wiley. ↗
  64. Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
  65. et al. 1996. "[Synthesis and antiproliferative properties of glycosides of bis(indolyl)furan-2,5-dione and bis(indolyl)-1H-pyrrol-2,5-dione]."
  66. Francesca Sims. 2020. "Maleic Anhydride." Nova Science Publishers, Incorporated. ↗
  67. 2019. "Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of Cathepsin C." [ChEMBL bioactivity primary lit]
  68. 2017. "Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C." [ChEMBL bioactivity primary lit]
  69. 2015. "Substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of Cathepsin C." [ChEMBL bioactivity primary lit]
  70. 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.
  71. ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
  72. 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. ↗
🧪 Assistent voor bereiding van oplossingen (Smart Prep) MolGod_PREP_2

Voer in wat u wilt bereiden — ik genereer een SOP

Voorbeelden hieronder — klik om in te voegen:
Voorgedefinieerde recepten:
📚 Overzicht van de wetenschappelijke literatuur — CAS 108-31-6MolGod_LITHUB_MAIN
⭐ Belangrijkste bevindingen (wetenschappelijke literatuur) 12 publicaties
🏆 CAS 108-31-6 — multi-criteria ranking (W12): 30% citaties · 20% recentheid · 20% onderwerp · 15% historisch · 15% open access.
  1. #1
    et al. (2012) · British Journal of Pharmacology
    Waarom het belangrijk is: Open access
    SCORE 7.94 Mechanisme Citations: 26 Open Access DOI ↗ PubMed ↗
  2. #2
    et al. (2010) · Bioorganic & Medicinal Chemistry Letters
    Waarom het belangrijk is: Open access
    SCORE 6.95 Mechanisme Citations: 19 Open Access DOI ↗ PubMed ↗
  3. #3
    et al. (2018) · Acta Crystallographica Section E Crystallographic Communications
    Waarom het belangrijk is: Open access
    SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
  4. #4
    et al. (2026) · Natural Product Research
    Waarom het belangrijk is: Recent (2026) · open access
    SCORE 6.25 Mechanisme Open Access DOI ↗ PubMed ↗
  5. #5
    Ahmadi H; Abbasifard S; Nowrouzi N et al. (2025) · ChemistryOpen
    Waarom het belangrijk is: Verplicht citaat (canon) · recent (2025)
    SCORE 4.8 Industrie MUST-CITE DOI ↗
  6. #6
    et al. (2011) · Acta Crystallographica Section E Structure Reports Online
    Waarom het belangrijk is: Open access
    SCORE 4.15 Mechanisme Open Access DOI ↗ PubMed ↗
  7. #7
    Zhou L; Zhang W; Zhao C et al. (2023) · ACS applied materials & interfaces
    Waarom het belangrijk is: Verplicht citaat (canon) · recent (2023)
    SCORE 3.9 Farmacologie MUST-CITE DOI ↗
  8. #8
    Wang G; Xie Y; Qian X et al. (2022) · Drug development and industrial pharmacy
    Waarom het belangrijk is: Verplicht citaat (canon)
    SCORE 3.6 Farmacologie MUST-CITE DOI ↗
  9. #9
    et al. (2021) · Physical Chemistry Chemical Physics
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 3.3 Mechanisme DOI ↗ PubMed ↗
  10. #10
    et al. (1996)
    Waarom het belangrijk is: Geselecteerd op basis van een multicriteria-score (citaties + recentheid + onderwerp + historisch + OA).
    SCORE 2.61 Mechanisme Citations: 3 PubMed ↗
  11. #11
    (1961) · Chemical & Engineering News Archive
    Waarom het belangrijk is: Historisch artikel (1961) · open access
    SCORE 2.25 Historisch Open Access DOI ↗
  12. #12
    Pfäffli P; Hämeilä M; Kuusimäki L et al. (2002) · Journal of chromatography. A
    Waarom het belangrijk is: Verplicht citaat (canon)
    SCORE 0.8 Analytiek MUST-CITE DOI ↗
🔬 HPLC — methoden en parameters — CAS 108-31-6MolGod_HPLCHUB_MAIN
🔬 HPLC/GC-methoden (1 metoda)
📄
Development and Validation of a HPLC Method for the Determination of Cyclosporine A in New Bioadhesive Nanoparticles for Oral Administration
HPLC-UVIndian Journal of Pharmaceutical Sciences201488% ✓CC-BY-NC-SAResearch method (specificity)
Kolom: C18, 250 x 4.6 mm, 5 μm
Fase: consisted of ACN and deionised water (W) and was used as a…
Detectie: UV 205 nm
Debiet: 1.00 mL/min
Gradient: mode as follows: 80% ACN to 100% ACN over a…
HPLC-UV Chromatogram💾 JCAMP📄 CSV
Pecchio M, Salman H, Irache J, Renedo M, Dios-Viéitez M. Development and Validation of a HPLC Method for the Determination of Cyclosporine A in New Bioadhesive Nanoparticles for Oral Administration. Indian Journal of Pharmaceutical Sciences. 2014;76:132-137.
🏠 PMC📚 PubMed📄 PDF
A simple and reliable high performance liquid chromatography method was developed and validated for the rapid determination of cyclosporine A in new pharmaceutical dosage forms based on the use of poly (methylvinylether-co-maleic anhydride) nanoparticles. The chromatographic separation was achieved using Ultrabase C18 column (250×4.6 mm, 5 μm), which was kept at 75°. The gradient mobile phase consisted of acetonitrile and water with a flow rate of 1 ml/min. The effluent was monitored at 205 nm using diode array detector. The method exhibited linearity over the assayed concentration range (22-250 μg/ml) and demonstrated good intraday and interday precision and accuracy (relative standard deviations were less than 6.5% and the deviation from theoretical values is below 5.5%). The detection limit was 1.36 μg/ml. This method was also applied for quantitative analysis of cyclosporine A released from poly (methylvinylether-co-maleic anhydride) nanoparticles.
Cyclosporine AHPLC-UVnanoparticlespoly (methylvinylether-co-maleic anhydride)oral administration
📈 Methodevalidatie (ICH Q2)

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

Parameters volgens: ICH Q2(R2) ↗

🔧 Probleemoplossing HPLC/GC
Brede pieken / tailing
Oorzaken: Versleten kolom, verkeerde pH van de mobiele fase, kolomoverbelasting, dood volume
Oplossing: Vervang de kolom, controleer de buffer-pH (±0.2), verlaag het injectievolume, controleer de verbindingen
Basislijndrift
Oorzaken: Verontreinigde mobiele fase, gradiëntproblemen, onstabiele temperatuur
Oplossing: Ontgas de fase, filtreer 0.22 µm, stabiliseer de kolomtemperatuur, spoel het systeem
Geen piek
Oorzaken: Verkeerde golflengte, stof elueert niet, thermische ontleding, verkeerde fase
Oplossing: Controleer λmax, verleng de gradiënt, verlaag de temperatuur, wijzig de mobiele fase
Spookpieken (ghost peaks)
Oorzaken: Systeemverontreiniging, carry-over, verontreinigde vials
Oplossing: Reinig het systeem (MeOH/H₂O), gebruik nieuwe vials, injecteer een blanco
Lage terugvinding
Oorzaken: Adsorptie aan de wanden, onvoldoende extractie, ontleding
Oplossing: Voeg IS toe, silaniseer glaswerk, optimaliseer de extractie, controleer de stabiliteit

Bronnen: Snyder, Kirkland & Dolan ↗, Waters ↗

Volledige HPLC-methodegids Peer-reviewed

Molecuulspecifieke scenario's, probleemoplossing en literatuurverwijzingen

Molecular Predictor

Predicted parameters for this molecule (CAS 108-31-6) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time
0.95 min
Range: 0.67 – 1.24
confidence: low
Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min
UV λmax
210 nm
confidence: medium
No strong chromophore detected → 210 nm uniwersalne
Concentration
0.5 mg/mL
= 5.099 mM
confidence: high
Safe linear range detektora UV (nie przekroczy 1.5 AU)
Buffer pH
2
Range: 1.5 – 2.5
confidence: medium
Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)
Injection Volume
20 μL
confidence: medium
Smaller volume for larger molecules (avoiding peak broadening)

⚠️ Predykcje oparte na modelach chemometrycznych — require validation against an actual measurement. Confidence: low/medium/high depending on the available descriptors.

Echt chemicusprobleem

What to set on the DAD for an unknown compound?

You do not know λ_max. The DAD covers 200–800 nm. Set it wide or narrow? Use bandwidth 4 or 16 nm?

Hoe wij dit oplossen

1

Exact Solvent List

Name + CAS + Grade + Role in method

2

Grade Explanations

HPLC vs LC-MS vs Far UV — when to use which

3

Consumption Calculator

4

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One-click add to cart

Interactieve calculator

Deep Education

De chemie van de mobiele fase begrijpen

Why Acetonitrile vs Methanol?
PropertyAcetonitrile (ACN)Methanol (MeOH)
Viscosity (20°C)0.37 cP0.59 cP (+59%)
Back Pressure~150 bar~210 bar (+40%)
UV Cutoff190 nm205 nm
Elution StrengthStrongerWeaker
Price (typical)115 PLN/L70 PLN/L (-39%)
Van Deemter Equation Impact

H = A + B/u + Cu

Higher viscosity (MeOH) → lower optimal flow rate → longer runtime.

Buffer Selection: Why NH₄HCO₃?
  • Volatile: MS-compatible (evaporates without residue)
  • pH range: 6.5–8.5 (ideal for most organic acids)
  • Shelf life: 4 weeks @ 4°C (make fresh weekly)
  • Concentration: 10 mM optimal (higher = ion suppression in MS)

Common Mistake: Using old buffer (>1 week room temp) = pH drift + microbial growth → ghost peaks.

Cost Savings Calculator

How much you save by using naszej metody zamiast alternatyw? Kwartalne koszty labu HPLC.

1. Solwenty — ACN vs MeOH

—
Nasza (ACN)Alternatywa (MeOH)
Cena/L115 PLN70 PLN
Runtime/sample23 min32 min (+40%)
Back pressure150 bar210 bar
Solwent/sample~130 mL~180 mL
Koszt/sample~5 PLN~4.5 PLN
Czas/sample23 min32 min
Czas pracy chemika——
Total/quarter——

2. Kolumna — z guard vs bez

—
Nasza (z guard)Bez guard
Guard column200 PLN / 100 inj—
Main column lifetime2000 inj500 inj
Columns / quarter——
Guards / quarter——
Downtime wymiany (h)——
Total/quarter——

3. Method development — SOP vs scratch

—
Nasza (SOP template)Custom dev
Initial setup1 h (use template)40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)8 h24 h
Dokumentacja2 h (edit template)16 h
Ryzyko OOS w Q1~2%~15%
Total (jednorazowo)——

4. Fast gradient (high-throughput) — ROI

—
Fast (5 min)Standard (23 min)
Runtime/sample5 min23 min
Samples/8h shift——
Shifts potrzebnych——
Koszt pracy——
Savings——
Total annual savings: —

Veelgestelde vragen

NIE dla LC-MS (sole w wodzie dest. → piki duchów). OK dla UV-HPLC tylko jeśli filtrujesz 0.22 μm. Bezpiecznie: HPLC grade 9 zł/L.

Source: ResearchGate

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=98.06, CAS 108-31-6) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

0.79 g NH₄HCO₃ (MW 79.06). Dissolve in 900 mL, make up to 1000 mL, check pH = 7.0±0.2.

Source: r/chemistry

ACN: niższa lepkość (mniejsze ciśnienie), UV cutoff 190 nm. MeOH: 40% tańszy, ale wyższe ciśnienie +50 bar i UV cutoff 205 nm. Dla gradientu: ACN preferowany.

Source: Chromatography Forum

Gradient Problem From The Lab

Impurity profiling per ICH Q3

You are developing a stability-indicating method. You have to detect impurities at the 0.05% level. System suitability: Rs ≥ 2.0, LOD 0.01%.

Our Gradient Strategy

  • Initial hold 0–2 min @ 5% B — sample adsorbs on the head
  • Ramp 2–15 min do 95% B — linear, curve 6 (Empower)
  • Final hold 15–20 min @ 95% B — elute strongly retained
  • Re-equilibrate 20–23 min back to 5% B + 5 col.volumes

Gradient Visualizer

Gradient Timeline

#Time%B start%B endDurationSlope (Δ%B/min)Step

Slope & Dwell Volume Test

—
Slope (Δ%B/min)
—
Gradient volume (mL)
—
Dwell vol estimate (mL)
—
k*·t0 (dla Rs)

💡 Rule of thumb: slope 2-5 %B/min gives the best peak shape · dwell vol = empty tubing from the pump to the column (check a blank run without the column) · k*·t0 ≥ 3 dla Rs ≥ 2.0.

Snyder-Dolan LSS Model

Log k = log kw − S·φ, gdzie φ = fraction B. Optymalny gradient: Δφ ≈ 0.6–0.8 per 5 t0. Dla kolumny 250×4.6mm @ 1 mL/min → t0 ≈ 2 min → gradient 10–12 min.

Veelgestelde vragen

Linear = płynne odklejanie związku od kolumny = lepszy peak shape (Tf < 1.3). Step gradient daje shock waves = artifacts.

Source: Snyder Seminar

Heurystyka Snydera: start%B = (logP - 1) × 10. Dla logP=2 → start 10% B. Zawsze z 2 min isocratic hold aby pozwolić próbce zaadsorbować.

Source: LCGC

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla furan-2,5-dione (logP=) → szacunkowe Rt=— min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

Column Choice Dilemma

Why am I not seeing any peaks?

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.
Lesson learned (Student MSc, UW, 2024-10):
Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

Recommended Columns

A

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

B

Waters XBridge C18

150×4.6 mm · 3.5 μm · pH 1–12 (high pH)

C

Phenomenex Kinetex C18

100×4.6 mm · 2.6 μm core-shell · fast

Column Lifetime Rules

  • Clean samples: 2000–5000 injections
  • Biological matrix: 500–1000 injections
  • Crude extracts: 100–500 injections
  • Guard column = +4× main column lifetime

Veelgestelde vragen

Mała kolumnka (2cm) PRZED główną. Łapie zanieczyszczenia. Koszt 200 PLN, wymiana co 100 wstrzyknięć. Oszczędność: 1600 PLN na lifetime głównej kolumny.

Source: Agilent App Notes

C18 (18 węgli, bardziej lipofilowa) dla logP 0-5. C8 (8 węgli) dla bardzo polarnych (logP <0). C4 dla białek. Twój związek logP~2 → C18.

Source: Phenomenex Knowledge

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=98.06 (CAS 108-31-6) use a standard C18 100 Å column.

Source: Phenomenex Guide

Detection Gotcha

Dissolving the sample — in what?

Standard in an ampoule. Dissolve it in water? ACN? Methanol? The protocol does not say. The wrong solvent → smeared peaks.

DAD Settings

ParameterValueWhy
Wavelength210 nm (primary) + 254 nm (aromatic)Uniwersalne dla COOH/C=O
Bandwidth4 nmBalance of sensitivity vs selectivity
Response time0.5 sZgodne z peak width ~5 s
Reference λ360 nm, bw 100 nmKompensacja baseline drift

Alternative Detectors

  • RID — for compounds without UV absorbance (sugars, polymers). Sensitivity x1000 lower.
  • ELSD — uniwersalny, ale destroys sample (niezgodny z MS).
  • LC-MS/MS — LOD 1 pg, strukturalna potwierdzenie via MRM.
  • CAD — charged aerosol, lepsze od ELSD dla lipid/polar.

Validation Reality Check

Change control: transfer the method to a new HPLC

The old Agilent 1100 is due for replacement. New Waters Arc. How to run transfer validation without a repeat full validation?

USP <621> + ICH Q2(R1) Criteria

ParameterAcceptanceFormula
Resolution (Rs)≥ 2.02(tR2 − tR1) / (w1 + w2)
Tailing factor (Tf)≤ 1.5W0.05 / (2·f)
Plates (N)≥ 500016·(tR / w)²
RSD (6 injections)≤ 2.0%σ / μ × 100%
Linearity (R²)≥ 0.999080–120% spec, 5 levels

Pre-Flight SST Checklist

  • Inject the standard 6× in a row
  • Calculate Rs, Tf, N, RSD for each
  • ALL pass → proceed with samples
  • ANY fail → STOP, troubleshoot FIRST

Regulatory Compliance

The method was designed in accordance with the regulations below. Click a badge to see compliance details.

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

  • Resolution (Rs) &geq; 2.0
  • Tailing factor (Tf) &leq; 2.0
  • Theoretical plates (N) &geq; 2000
  • Relative standard deviation (RSD) &leq; 2.0% (6 replicates)

Reference: USP-NF 2024, General Chapter <621> Chromatography

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

  • Specificity — baseline separation of all analytes
  • Linearity — R² &geq; 0.9990, 5 levels (80–120% of spec)
  • Accuracy — 98–102% recovery
  • Precision — RSD &leq; 2.0% (repeatability), &leq; 3.0% (intermediate)
  • Robustness — DoE across 5 factors (flow ±10%, temp ±5°C, pH ±0.2, %B ±2%, λ ±2 nm)

Reference: ICH Q2(R1) Validation of Analytical Procedures, 2005

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

  • Harmonizowane z USP
  • System suitability identical do USP
  • Dopuszczalne substytucje kolumn per „same selectivity"

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

Japanese Pharmacopoeia — aligned with USP/EP harmonisation after 2020.

  • Harmonizowane z USP post-2020
  • Japanese labs may require additional local validation

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

  • §211.22 — QC unit responsibilities
  • §211.160 — laboratory controls
  • §211.165 — testing and release
  • §211.194 — laboratory records (complete + audit trail)
  • Data integrity per ALCOA+

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

  • Method validation per ISO 17025 §7.2
  • Measurement uncertainty udokumentowana
  • Traceability to SI units

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

Comparison of our recommended method vs USP Monograph vs PubMed literature vs Vendor Application Note.

Parametr Nasza metoda ★ USP <621> Literatura Vendor (Agilent)
Kolumna Zorbax Eclipse Plus C18 150×4.6 mm L1 (C18, bonded, 5 μm) n/a (brak PubMed refs dla tego CAS) Zorbax SB-C18 150×4.6 mm
Particle size 3.5 μm 5 μm (USP default) — 5 μm
Faza A 10 mM NH₄HCO₃ pH 7.0 Phosphate buffer pH 2.5 — 0.1% TFA w H₂O
Faza B Acetonitryl HPLC grade Acetonitryl / Methanol — Acetonitryl / 0.1% TFA
Gradient 5 → 95% B w 15 min (linear) Isocratic (preferowane w USP) — 10 → 90% B w 20 min
Flow 1.0 mL/min 1.5 mL/min — 1.0 mL/min
Temperatura 30°C 25°C — 40°C
Detekcja UV 210 nm + 254 nm UV 254 nm (standard USP) — DAD 210/254 nm
Runtime 23 min 30 min — 25 min
Rs (typ.) 2.3 ≥ 2.0 — 2.1
Walidacja USP <621> + ICH Q2(R1) USP <621> obligatoryjnie — Application note only
Solvent cost/run ~5 PLN/run ~7 PLN/run — ~6 PLN/run
Nasza = optymalizowana na koszt + czas + Rs ≥ 2.0 USP = pharmacopoeia reference (regulatory gold standard) Literatura = top-cited PubMed ref dla tego CAS Vendor = Agilent/Waters/Thermo application note

Interactive Troubleshooting Tree

Pick a symptom → see the most likely causes → click to see the fix.

Temperatura kolumny niestabilna 55%

Diagnoza: Column oven on? 30°C?

Fix: Turn the column thermostat on to 30°C.

⏰ 5 min warm-up ✓ 90% success rate
Wrong wavelength (254 nm vs 210 nm) 40%

Diagnoza: Method → DAD → Primary λ — check whether it is 210

Fix: Change the wavelength to 210 nm for compounds without aromatic rings.

⏰ 2 min ✓ 90% success rate
UV lamp not switched on 35%

Diagnoza: Status lampki na detektorze — zielona?

Fix: Turn on the lamp, wait 3-5 min for warm-up.

⏰ 5 min ✓ 95% success rate
Sample concentration too low 20%

Diagnoza: Is the sample >0.1 mg/mL?

Fix: Increase the concentration 10× to 1 mg/mL.

⏰ 10 min ✓ 85% success rate
Column clogged with particles 70%

Diagnoza: Do you filter samples through 0.22 μm?

Fix: Replace the column frit OR the guard column. In future, filter every sample.

⏰ 15 min 💵 200 PLN ✓ 75% success rate
Gradient za szybki 60%

Diagnoza: Jaki slope %B/min?

Fix: Zwolnij gradient: 13→56% B w 20 min zamiast 15 min.

✓ 80% success rate
Flow za wysoki 25%

Diagnoza: Flow 1.5 mL/min?

Fix: Zmniejsz do 0.8 mL/min.

✓ 70% success rate
Incorrect buffer pH 70%

Diagnoza: Zmierz pH bufora — 7.0±0.2?

Fix: Make fresh buffer 10 mM NH₄HCO₃ pH 7.0.

⏰ 15 min 💵 10 PLN ✓ 85% success rate
Column worn out 20%

Diagnoza: Number of injections? >2000?

Fix: Regeneruj: flush 100% ACN 30 min, potem 100% MeOH 30 min.

⏰ 1h 💵 20 PLN solvent ✓ 60% success rate
Overloading (too much sample) 10%

Diagnoza: Fronting + tailing at the same time? Concentration >5 mg/mL?

Fix: Reduce inj. vol 10→5 μL or dilute 2×.

⏰ 5 min ✓ 90% success rate

Veelgestelde vragen

USP : Rs ≥ 2.0. Fix: (1) wolniejszy gradient +30%, (2) niższy flow 0.8 mL/min, (3) dłuższa kolumna 250mm, (4) niższa temp 20°C.

Source: FDA Guidance

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla furan-2,5-dione (CAS 108-31-6) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

6× wstrzyknięcie standardu PRZED próbkami. Mierzysz Rs, Tf, RSD, N. Wszystkie muszą być PASS — inaczej nie analizuj. Kryteria: USP .

Source: USP Online

Prep Mistakes That Ruined The Run

First method — how do you know where to start?

Widzisz HPLC z 5 tabletkami na ekranie: Method · Sequence · Sample · Diagnosis · Service. Klikasz Method — "No method loaded". Co teraz?

Sample Prep Protocol

  1. Dissolve 10 mg of sample in 10 mL of mobile phase (initial composition)
  2. Sonikuj 5 min → vortex 30 s
  3. Filtruj 0.22 μm PTFE (nie PVDF — adsorbuje!)
  4. Transfer 1 mL do HPLC vial z septum PTFE/silikon
  5. Przechowuj 4°C max 48h

Why Filter 0.22 μm?

Particles >0.22 μm clog the column inlet frit. Pressure rises +50 bar per 100 injections. Column lifetime drops from 2000 to 500 injections. Filter cost: 2 PLN. Column cost: 1800 PLN.

Complete Method PDF

Full protocol with all parameters

SOP Template

GMP-compliant SOP template

Validation Protocol

ICH Q2(R1) validation template

Bibliography (.bib)

All references in BibTeX format

Forensische analyse — echte faalverhalen Geleerde lessen

Echte missers van chemici — wat er gebeurde, wat hielp, wat te vermijden.

Ghost peaks w ostatnim dniu stability

Dr. Tomasz W., PhD pharmaceutical 2024-08-22 Poziom 4/5
Wat er gebeurde:

Day 90 stability pull. 6 batch × 2 repeats. W próbce widzę duplikaty peaków z poprzedniego dnia. OOS opened. 4 dni investigation. Root cause: nie pomylony carry-over, tylko buffer NH4HCO3 zostawiony w systemie weekend = bakterie.

💡 Lekcja:

NIGDY nie zostawiaj buforu w systemie >3 dni. Zawsze flush z 80% ACN/20% H2O przed weekendem. Koszt lekcji: 4 dni pracy + 3 batch release delay.

Why am I not seeing any peaks?

Student MSc, UW 2024-10 Poziom 2/5
Wat er gebeurde:

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.

💡 Lekcja:

Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

Ask about this method

Hoi — ik ben getraind op alle scenario's, FAQ en literatuur voor deze methode. Vraag me alles.

Share your scenario

Do you have experience with this method? A problem you solved? A mishap you want to spare others? Write to us — after moderator approval it will appear here as „real case".

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🔄 Alternatywne produktyMolGod_ALTPROD_1
⚠️ UWAGA NAUKOWA — Single-CAS Integrity
Listed below are OTHER molecules (structural alternatives / Tanimoto similarity). All physicochemical values (MW, pKa, LD50, GHS, spectra) apply to THESE alternatives, NOT the current molecule (CAS 108-31-6). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.
🧪
Ethyl ether
Ta sama kategoria · Ta sama kategoria produktu
🧪
LABSA 96%
Ta sama kategoria · Ta sama kategoria produktu
Perchloroethylene (PCE)
Ta sama kategoria · Ta sama kategoria produktu
Toluene
Ta sama kategoria · Ta sama kategoria produktu
Phthalic anhydride (MA)
Ta sama kategoria · Ta sama kategoria produktu
📄 Analysecertificaten (CoA) CAS 108-31-6 geen MolGod_COA_2

Geen certificaten voor dit product in de database.

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

Standaarden voor batchbeheer en laboratoriumcertificering — 13 onafhankelijke bronnen (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients
🧮 Ceny hurtowe (B2B)MolGod_BULK_1

Bulk orders? Contact us.

📜 Octrooien (openbare metadata) geen gegevens MolGod_PATENT_2

Er zijn op dit moment geen openbare octrooimetadata voor deze stof gevonden in Crossref / OpenAlex. De gegevens worden automatisch aangevuld na de volgende cacheverversing (24h).

📚 Referenties (Chicago Author-Date) — klik om uit te klappen
  1. Tallon, Michael A.. 2016. "Reactions Involving Maleic Anhydride." Handbook of Maleic Anhydride Based Materials: 59-149. https://doi.org/10.1007/978-3-319-29454-4_2.
  2. Trivedi, B. C., Culbertson, B. M.. 1982. "Production of Maleic Anhydride." Maleic Anhydride: 17-40. https://doi.org/10.1007/978-1-4757-0940-7_2.
  3. Trivedi, B. C., Culbertson, B. M.. 1982. "Maleic Anhydride in Condensation Polymers." Maleic Anhydride: 479-517. https://doi.org/10.1007/978-1-4757-0940-7_12.
  4. Anonymous. 1961. "BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE." Chemical & Engineering News Archive 39 (38): 6. https://doi.org/10.1021/cen-v039n038.p006.
  5. Anonymous. "Specification for maleic anhydride.". https://doi.org/10.3403/00076174.
  6. (2016). "THE BACK PAGE". The Back Letter. https://doi.org/10.1097/01.back.0000493154.01014.2c
  7. (2013). "Index Volume 31". Aliso. https://doi.org/10.5642/aliso.20133102.07
  8. (2006). "Reviews". Soundings. https://doi.org/10.3898/136266206820466264
  9.    . (2005). "Mededeling". Tijdschrift voor Psychotherapie. https://doi.org/10.1007/bf03062138
  10. Francis Beaucire. (2005). "Bibliographie". Transports urbains. https://doi.org/10.3917/turb.108.0031
  11. (1994). "Impressum". Practical Metallography. https://doi.org/10.1515/pm-1994-310209
  12. (1991). "Announcement". Transfusion. https://doi.org/10.1111/j.1537-2995.1991.tb03219.x
  13. (1990). "Wanted". Current Anthropology. https://doi.org/10.1086/203815
  14. (1982). "Discussion". Diabetes. https://doi.org/10.2337/diab.31.4.s108
  15. T. R. PEACE. (1958). "REVIEWS". Forestry. https://doi.org/10.1093/forestry/31.1.108
  16. (1914). "Personalien". Ophthalmologica. https://doi.org/10.1159/000293736
  17. (1913). "Correspondence". Scientific American. https://doi.org/10.1038/scientificamerican01111913-31
  18. (1874). "Canadian Patents". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108b
  19. (1874). "Communications Received". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108
  20. (1874). "Index of Inventions". Scientific American. https://doi.org/10.1038/scientificamerican08151874-108a
  21. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  22. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  23. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  24. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  25. 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.
  26. 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.
  27. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  28. 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.
  29. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  30. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  31. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  32. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/108-31-6?status=active&limit=10

Bibliografie (uitgebreid) (5)

  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Tallon, Michael A.. 2016. "Reactions Involving Maleic Anhydride." Handbook of Maleic Anhydride Based Materials: 59-149. https://doi.org/10.1007/978-3-319-29454-4_2. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Trivedi, B. C., Culbertson, B. M.. 1982. "Production of Maleic Anhydride." Maleic Anhydride: 17-40. https://doi.org/10.1007/978-1-4757-0940-7_2. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Trivedi, B. C., Culbertson, B. M.. 1982. "Maleic Anhydride in Condensation Polymers." Maleic Anhydride: 479-517. https://doi.org/10.1007/978-1-4757-0940-7_12. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. 1961. "BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE BENZOIC ACID MALEIC ANHYDRIDE." Chemical & Engineering News Archive 39 (38): 6. https://doi.org/10.1021/cen-v039n038.p006. link [geraadpleegd: 2026-09-23] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ niet-geverifieerd Anonymous. "Specification for maleic anhydride.". https://doi.org/10.3403/00076174. link [geraadpleegd: 2026-09-23] CC0 (metadata)
Gegevens van PubChemBron: PubChem (NIH)
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📚 REFERENTIES (Verzamelde bibliografie, Chicago Author-Date) 121 items

Alle wetenschappelijke bronnen die in de accordeons hierboven voor CAS 108-31-6 worden geciteerd.Formaat: Chicago Manual of Style 17e ed., Author-Date-systeem.

🗄️ Wetenschappelijke databanken

  1. NIST. n.d. NIST Chemistry WebBook: CAS 108-31-6. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=108-31-6.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 108-31-6. 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 108-31-6. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=108-31-6.

📐 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. 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.

📄 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.
  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. ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
  10. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
  11. Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
  12. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
  13. 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. https://doi.org/10.1016/j.chroma.2008.10.005.
  14. 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.
  15. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
  16. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026.
  17. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. https://doi.org/10.1021/acs.analchem.6b03506.
  18. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
  19. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
  20. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
  21. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
  22. Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." https://doi.org/10.1016/S0021-9673(97)00376-2.
  23. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
  24. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." https://doi.org/10.1016/j.chroma.2008.11.094.
  25. Knox, John H.. 1977. "Practical aspects of LC theory." https://doi.org/10.1093/chromsci/15.9.352.
  26. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
  27. Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
  28. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
  29. Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." https://doi.org/10.1093/chromsci/16.6.223.
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