éthylène

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Etylen, CAS 74-85-1

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MolGod_SDSCARD_1
REACH 2020/878
v2 · 21.07.2026
Category:
🧬 Visualiseur de molécule 3D
Chargement de la molécule...
Modèle 3D Ethylene, CAS 74-85-1, formule brute C2H4, masse molaire 28.05 g/mol
Aperçu chimique: EthyleneMolGod_OVERVIEW_1
Formule bruteC2H4
Masse moléculaire28.05 g/mol
Point de fusion-169.11 °C
Point d'ébullition-103.72 °C
LogP (lipophilie)1.2
Nom IUPACethene
SMILESC=C
InChIKeyVGGSQFUCUMXWEO-UHFFFAOYSA-N

Synonymes: ETHYLENE · Ethene · Acetene · Elayl · Olefiant gas

Sources des données : PubChem (NLM/NIH)
Dernière mise à jour : 2026-11-10

📊 Propriétés physicochimiques

Aperçu rapide

Formule : C2H4
MW : 28.05 g/mol
CAS : 74-85-1
Aspect : Colorless gas
Odeur : Sweet
Odeur : Sweet

Propriétés détaillées

Propriété Valeur Unité Conditions Source
Point de fusion (mp) -169.11 °C (-272.4 °F) 1 atm
Point d'ébullition (bp) -103.72 °C (-154.7 °F) 1 atm
Point d'éclair -100.00 °C (-148 °F) closed cup
Solubilité dans l'eau 0.131 g/L 25 °C (77 °F)
🔬 Propriétés avancées

Identifiants chimiques

SMILES: C=C

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

Dernière mise à jour : 2026-07-11

Statut réglementaire de la substance
Cette substance est soumise à des exigences réglementaires : gestion des déchets dangereux (BDO). Détails dans la section « Statut réglementaire (REACH/ECHA/CLP) » et sur la FDS. Information réglementaire — ne restreint pas l'achat dans la boutique.
🧮 Calculateur stœchiométriqueMolGod_STOICH_1
🔍 Identifiants externesMolGod_EXTID_1
12 sur 16 systèmes d'ID75%
Base de donnéesIdentifiantActions
CAS Registry Number74-85-1Ouvrir →
PubChem CID6325Ouvrir →
InChIKeyVGGSQFUCUMXWEO-UHFFFAOYSA-NOuvrir →
InChIInChI=1S/C2H4/c1-2/h1-2H2
SMILESC=C
EC Number200-815-3Ouvrir →
KEGG CompoundC06547Ouvrir →
HMDBHMDB0029594Ouvrir →
ChemSpider6085Ouvrir →
MeSH UID (NLM)C036216Ouvrir →
UNII (FDA)91GW059KN7Ouvrir →
WikiData QIDQ151313Ouvrir →

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

📡 Spectroscopie — CAS 74-85-1MolGod_SPECHUB_MAIN
📊 Spectres (NMR, IR, MS, UV-Vis) (1)

Types de spectres disponibles : IR

Spectre IR (KBr, 4000-400 cm⁻¹)

446 points de données · Source : NIST WebBook · NIST ↗ · 📥 JCAMP-DX
📋 Tableau des pics (peak assignment)
Type Position Intensité Attribution
IR 454.01 1 —
IR 461.51 1 —
IR 469.02 1 —
IR 476.53 1 —
IR 484.04 1 —
IR 491.55 1.1 —
IR 499.06 1.1 —
IR 506.57 1.1 —
IR 514.08 1.1 —
IR 521.59 1.1 —
IR 529.1 1.1 —
IR 536.61 1.1 —
IR 544.12 1 —
IR 551.63 1 —
IR 559.14 1 —
IR 566.65 1.1 —
IR 574.16 1.1 —
IR 581.67 1.1 —
IR 589.17 1.1 —
IR 596.68 1.1 —
🎓 Guide d'interprétation des spectres (pour étudiants)
Comment lire un spectre IR
  • 3200-3600 cm⁻¹ — élongation O-H (pic large = liaison hydrogène)
  • 2850-3000 cm⁻¹ — élongation C-H (sp³)
  • 1650-1750 cm⁻¹ — élongation C=O (cétones, aldéhydes, esters)
  • 1400-1600 cm⁻¹ — vibrations du cycle aromatique
  • 1000-1300 cm⁻¹ — élongation C-O (éthers, alcools)
  • Aucune absorption = aucun groupe fonctionnel → comparer avec une référence

Sources : LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Références scientifiques (Chicago Author-Date) (9 sources)

📚 La bibliographie des ouvrages est en attente de génération. Des manuels généraux sélectionnés sont disponibles ci-dessous ; les ouvrages Google Books spécifiques au CAS peuvent être récupérés depuis le panneau d'administration.

  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
📐 Propriétés physico-chimiques (base de données) 6 champs Score MolGod : Aucune source
Propriété Valeur Unité Conditions Source
Point de fusion -169.11 °C 1 atm
Point d'ébullition -103.72 °C 760 mmHg
Solubilité dans l'eau 0.131 g/L 25°C
Point d'éclair -100.00 °C closed cup
Température d'auto-inflammation 450.00 °C in air
logP (octanol/eau) 1.200 — 25°C
📚 Références scientifiques (Chicago Author-Date) (12 sources)
  1. Haynes, William M., ed. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton: CRC Press/Taylor & Francis. ISBN 978-1-032-55554-4. ↗
  2. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  3. Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
  4. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
  5. Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208. ↗
  6. Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243. ↗
  7. Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
  8. Mannhold, Raimund, and Han van de Waterbeemd. 2001. "Substructure and Whole Molecule Approaches for Calculating Log P." Journal of Computer-Aided Molecular Design 15 (4): 337–354. ↗
  9. Perrin, Ditlev D., Boyd Dempsey, and E. P. Serjeant. 1981. pKa Prediction for Organic Acids and Bases. London: Chapman and Hall. ISBN 0-412-21090-5.
  10. Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710. ↗
  11. Ertl, Peter, Bernhard Rohde, and Paul Selzer. 2000. "Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties." Journal of Medicinal Chemistry 43 (20): 3714–3717. ↗
🔄 Convertisseur d'unités de concentration LIVE MolGod_UNITCONV_1

Saisissez la concentration Ethylene dans n'importe quelle unité — le reste sera calculé automatiquement.

MW : 28.05 g/mol · IUPAC Gold Book ↗

⚗️ Formules de conversion + citations (par formule)
ConversionFormulePrécisionSource
% (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)
📚 Bibliographie (8 sources faisant autorité)
  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
Compatibilité avec les solvantsMolGod_SOLV_1

Estimation basée sur la solubilité dans l'eau et le logP. Données indicatives — ne remplacent pas les études expérimentales.

SolvantCompatibilitéRemarquesRéférences
Water~ ModéréelogP modéré
EtOH+ BonneEtOH — solvant polaire universel
Acetone+ BonneAcétone — bon pour les composés moyennement polaires
DCM+ BonneDCM — bon pour les composés apolaires
DMSO+ BonneDMSO — solvant aprotique puissant
THF+ BonneTHF — large gamme de solubilité
Hexane- FaibleFaible solubilité dans l'hexane
CHCl3+ BonneCHCl3 — bon pour les composés moyennement polaires et apolaires

Sources des données pour logP/solubilité : logP: 1.20

📚 Références scientifiques pour les solvants (Chicago Author-Date) — cliquer pour développer

Chaque solvant dispose de 5 sources scientifiques indépendantes (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/GESTIS). Citations complètes ci-dessous.

Water · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. International Association for the Properties of Water and Steam (IAPWS). 1997. "Release on the Static Dielectric Constant of Ordinary Water Substance." IAPWS R8-97. [link ↗]
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  4. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834. [link ↗]
  5. IFA. n.d. "Water." GESTIS Substance Database. Institut für Arbeitsschutz der Deutschen Gesetzlichen Unfallversicherung. Accessed April 25, 2026. [link ↗]
EtOH · NIST CAS lookup ↗
  1. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. https://doi.org/10.1016/B978-0-340-64578-9.X5000-9. [link ↗]
  5. IFA. n.d. "Ethanol." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Acetone · NIST CAS lookup ↗
  1. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Rumble, John R., ed. 2023. CRC Handbook of Chemistry and Physics. 104th ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Acetone." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DCM · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Methane, dichloro- (CAS 75-09-2)." NIST Chemistry WebBook, SRD 69. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. International Agency for Research on Cancer. 1999. "Dichloromethane." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 71: 251–315. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Dichloromethane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
DMSO · NIST CAS lookup ↗
  1. Wypych, George. 2019. Handbook of Solvents. Volume 1: Properties. 3rd ed. Toronto: ChemTec Publishing. https://doi.org/10.1016/C2018-0-02235-3. [link ↗]
  2. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. National Institute of Standards and Technology. n.d. "Methane, sulfinylbis- (CAS 67-68-5)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  5. IFA. n.d. "Dimethyl sulfoxide." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
THF · NIST CAS lookup ↗
  1. Armarego, Wilfred L. F., and Christina Li Lin Chai. 2009. Purification of Laboratory Chemicals. 6th ed. Oxford: Butterworth-Heinemann. https://doi.org/10.1016/B978-1-85617-567-8.50003-3. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. National Institute of Standards and Technology. n.d. "Furan, tetrahydro- (CAS 109-99-9)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  4. Smallwood, Ian M. 1996. Handbook of Organic Solvent Properties. London: Arnold. [link ↗]
  5. IFA. n.d. "Tetrahydrofuran." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Hexane · NIST CAS lookup ↗
  1. National Institute of Standards and Technology. n.d. "Hexane (CAS 110-54-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  3. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. [link ↗]
  4. Agency for Toxic Substances and Disease Registry. 1999. Toxicological Profile for n-Hexane. Atlanta, GA: U.S. Department of Health and Human Services. [link ↗]
  5. IFA. n.d. "n-Hexane." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
CHCl3 · NIST CAS lookup ↗
  1. International Agency for Research on Cancer. 1999. "Chloroform." IARC Monographs on the Evaluation of Carcinogenic Risks to Humans 73: 131–182. [link ↗]
  2. National Institute of Standards and Technology. n.d. "Methane, trichloro- (CAS 67-66-3)." NIST Chemistry WebBook. Accessed April 25, 2026. [link ↗]
  3. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. [link ↗]
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. [link ↗]
  5. IFA. n.d. "Chloroform." GESTIS Substance Database. Accessed April 25, 2026. [link ↗]
Théorie de la solubilité (appliquée à la prédiction de la compatibilité) :
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — Triplet HSP (dD, dP, dH) + formule Ra.
  3. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Weinheim: Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Hoboken, NJ: Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  5. PubChem Compound Database — CAS 74-85-1 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Bibliographie complète dans l'accordéon RÉFÉRENCES (en bas de la page) — Chicago Manual of Style 17th ed., Author-Date.

🛡️ Sécurité — CAS 74-85-1MolGod_SAFEHUB_MAIN
Avis sur les limitations des données. Les informations de sécurité figurant sur cette page sont fournies à titre indicatif et ne remplacent pas une fiche de données de sécurité (SDS) complète. Avant d'utiliser le produit, consultez la fiche de données de sécurité actuelle du fabricant ainsi que les directives GHS/CLP. La classification CLP s'applique à la substance pure en vrac, et non aux préparations commerciales.

Classification GHS/CLP — Règlement (CE) n° 1272/2008 + UN GHS Rev. 9 (2021).

⚠️ Danger
GHS02 — Inflammable
GHS02 Inflammable
GHS04 — Gaz sous pression
GHS04 Gaz sous pression
GHS07 — Irritant / nocif
GHS07 Irritant / nocif

🚨 Mentions de danger (H)

  • H220 — Gaz extrêmement inflammable.
  • H336 — Peut provoquer somnolence ou vertiges.

🛡 Conseils de prudence (P)

  • P203 — Se procurer, lire et suivre toutes les instructions de sécurité avant l’utilisation.

✓ Classification harmonisée conformément à l'annexe VI du règlement CLP (CE) 1272/2008 (classification officielle, contraignante). Numéro d'index : 601-010-00-3.

Référence (Chicago) : European Chemicals Agency. "ethylene, Index No. 601-010-00-3." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress. Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

⚠ IARC — Groupe 3: inclassable quant à sa cancérogénicité pour l'homme (évalué par l'IARC). (Évaluation indépendante des preuves de cancérogénicité par l'IARC/OMS — complète la classification CLP ci-dessus.)
Référence (Chicago) : IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 74-85-1. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/. (Accessed 2026-11-12.)
Classification issue de la liste locale MOL-GOD (snapshot) — non vérifiée par rapport à la liste IARC actuelle. Vérifier

Traductions : Règlement CLP (CE) 1272/2008, Annexe III et IV. Données : PubChem/NLM.

📚 Références scientifiques consolidées — Chicago auteur-date 10 sources

Références collectées dans tous les onglets du Safety Hub. CAS : 74-85-1 · 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, Réglementations
  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

Les onglets possédant leurs propres références (Emergency, PPE, Storage, Waste) contiennent des entrées bibliographiques supplémentaires au sein de leurs sections respectives.

📈 Statistiques analytiques (test t · RSD · Grubbs · Q-Dixon) ICH Q2

Collez une série de mesures répétées (CSV ou un nombre par ligne). Le calculateur calculera la moyenne, l'écart-type, l'IC à 95 %, et détectera les valeurs aberrantes (Grubbs + Dixon Q).

Séparateur : virgule, espace, tabulation, nouvelle ligne. Min. 3 mesures.
📐 Formules statistiques
  • x̄ = Σxᵢ / n — moyenne arithmétique
  • s² = Σ(xᵢ - x̄)² / (n-1) — variance de l'échantillon
  • s = √s² — écart-type
  • RSD% = (s / x̄) × 100% — écart-type relatif
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — test de Grubbs
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

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

🔬 Méthodes HPLC/GC (3 metod)
📄
Identification of Phenolic Compounds in the Invasive Plants Staghorn Sumac and Himalayan Balsam: Impact of Time and Solvent on the Extraction of Phenolics and Extract Evaluation on Germination Inhibition
HPLC-DADPlants202488% ✓CC-BYResearch method (specificity, robustness)
Colonne : C18
Phase : mobile phases were used to separate the phenolic compounds: A (0
Détection : UV 530 nm
Débit : 0.60 mL/min
Temp. : 20.0 °C
Inj.: 20 μL
Gradient: program described by Mikulic-Petkovsek et al
Mikulic-Petkovsek M, Ravnjak E, Rusjan D. Identification of Phenolic Compounds in the Invasive Plants Staghorn Sumac and Himalayan Balsam: Impact of Time and Solvent on the Extraction of Phenolics and Extract Evaluation on Germination Inhibition. Plants. 2024;13:3339. doi:10.3390/plants13233339
An HPLC-MS-DAD analysis of phenolic compounds was carried out on the extracts of staghorn sumac (Rhus typhina L.) and Himalayan balsam (Impatiens glandulifera Royle). This study focuses on the influence of solvent type and extraction time on the phenolic extraction efficiency from both invasive plants. Methanol extraction resulted in a 4.2 times higher content of hydroxybenzoic acids, a 3.7 times higher content of hydroxycinnamic acids, a 3.2 times higher content of flavanols, a 9.6 times higher content of flavanones, and an 8.7 times higher content of flavonols in the Himalayan balsam extract compared to aqueous extraction. Anthocyanins were only detected in the alcohol-based extraction. In comparison, the aqueous extraction from staghorn sumac resulted in a higher yield of total hydroxybenzoic acids, hydroxycinnamic acids, and flavonols, while the methanol extraction resulted in a 1.4-fold lower total polyphenolic content compared to the aqueous extraction. The type of solvent had no significant effect on the total content of flavanols in staghorn sumac. Extraction time considerably affected the total phenolic content in both plant extracts. After 84 h of extraction, the staghorn sumac extract showed a 3.5-fold increase in the total phenolic content compared to the initial measurement. In contrast, the Himalayan balsam extract showed a 40% decrease in the total phenolic content after 84 h. The Himalayan balsam extract reduced the germination of perennial ryegrass seeds by 55%, while the staghorn sumac extract reduced it by 80%. Both extracts also inhibited shoot and root growth of perennial ryegrass, although the Himalayan balsam extract at a concentration of 0.125 g/mL stimulated root growth of perennial ryegrass. The strategic use of invasive alien plants could be an effective approach to control their spread in the environment, potentially reducing management costs. The effectiveness of this approach depends largely on the type and content of allelochemicals pr...
L.Roylephytochemistryphenolic componentsextraction efficiencyinvasive plant speciesgermination reduction
📄
Standardization of Juniperus macrocarpa Sibt. & Sm. and Juniperus excelsa M. Bieb. Extracts with Carbohydrate Digestive Enzyme Inhibitory and Antioxidant Activities
HPLCIranian Journal of Pharmaceutical Research202190% ✓CC-BYResearch method (specificity, robustness)
Colonne : CN, 5 μm
Phase : mobile phase contained 10% solvent A (acetonitrile:water: formic acid, 50:50:0
Détection : UV 735 nm
Débit : 1.00 mL/min
Temp. : 25.0 °C
Inj.: 20 μL
Gradient: system was started from the mobile phase contained 10% solvent…
Gök H, Orhan N, Özüpek B, Pekacar S, Selvi Ş, Orhan D. Standardization of Juniperus macrocarpa Sibt. & Sm. and Juniperus excelsa M. Bieb. Extracts with Carbohydrate Digestive Enzyme Inhibitory and Antioxidant Activities. Iranian Journal of Pharmaceutical Research : IJPR. 2021;20:441-455. doi:10.22037/ijpr.2021.114838.15055
Juniperus species growing in Turkey are used for various medicinal purposes in traditional folk medicine. We aimed to evaluate in-vitro antidiabetic (α-glucosidase and α-amylase inhibition assays), antiobesity (pancreatic lipase inhibition assay), and antioxidant (ABTS and DPPH radical scavenging activities, ferric reducing activity, metal chelating activity, and phosphomolybdenum assay) activities of the extracts obtained from branches, leaves, and fruits of Juniperus macrocarpa and Juniperus excelsa. The branch (IC50 = 67.1 ± 1.7 µg/mL) and leaf ethyl acetate extracts (IC50 = 83.4 ± 0.8 µg/mL) of J. macrocarpa exhibited the strongest activity on the α-glucosidase enzyme. Besides that, J. excelsa leaf methanol extract exerted remarkable α-amylase inhibitory activity (IC50 = 950.1 ± 3.5 µg/mL). Only J. macrocarpa branch and J. excelsa leaf ethyl acetate extract slightly inhibited pancreatic lipase enzyme with 2963.3 ± 736.4 and 2343 ± 557.8 µg/mL IC50 values, respectively. The RP-HPLC-DAD analysis results demonstrated that the more active J. macrocarpa extracts are richer in agathisflavone, amentoflavone, and umbelliferone than J. excelsa extracts. With this study, it is concluded that J. macrocarpa branch and leaf ethyl acetate extracts may be a new source of α-glucosidase enzyme inhibitory activity and agathisflavone, amentoflavone can be used in the standardization of the extracts.
AntidiabeticantioxidantJuniperus macrocarpaJuniperus excelsaRP-HPLC
📄
Phytochemical Characterization of Saudi Mint and Its Mediating Effect on the Production of Silver Nanoparticles and Its Antimicrobial and Antioxidant Activities
HPLCPlants202387% ✓CC-BYResearch method (specificity, robustness)
Colonne : C18, 5 μm
Phase : mobile phase, two buffers were used: buffer A (military Q water and…
Détection : UV 280 nm
Débit : 0.90 mL/min
Temp. : 30.0 °C
Inj.: 5 μL
Qanash H, Bazaid A, Binsaleh N, Alharbi B, Alshammari N, Qahl S, et al. Phytochemical Characterization of Saudi Mint and Its Mediating Effect on the Production of Silver Nanoparticles and Its Antimicrobial and Antioxidant Activities. Plants. 2023;12:2177. doi:10.3390/plants12112177
The green synthesis of nanoparticles (NPs) is attracting enormous attention as a new area of study that encompasses the development and discovery of new agents for their utilization in different fields, such as pharmaceuticals and food. Nowadays, the use of plants, particularly medicinal plants, for the creation of NPs has emerged as a safe, ecofriendly, rapid, and simple approach. Therefore, the present study aimed to use the Saudi mint plant as a medicinal plant for the synthesis of silver nanoparticles (AgNPs) and to evaluate the antimicrobial and antioxidant activities of AgNPs compared to mint extract (ME). A phenolic and flavonoid analysis that was conducted by using HPLC indicated the presence of numerous compounds in the ME. Through an HPLC analysis, chlorogenic acid at a concentration of 7144.66 µg/mL was the main detected component in the ME, while catechin, gallic acid, naringenin, ellagic acid, rutin, daidzein, cinnamic acid, and hesperetin were identified in varying concentrations. AgNPs were synthesized by using ME and were confirmed via UV–visible spectroscopy at 412 nm of the maximum absorption. The mean diameter of the synthesized AgNPs was measured by TEM to be 17.77 nm. Spectra obtained by using energy-dispersive X-ray spectroscopy indicated that silver was the main element formation in the created AgNPs. The presence of various functional groups, analyzed by using Fourier transform infrared spectroscopy (FTIR), indicated that the mint extract was responsible for reducing Ag+ to Ag0. The spherical structure of the synthesized AgNPs was confirmed by X-ray diffraction (XRD). Furthermore, the ME showed reduced antimicrobial activity (a zone of inhibition of 30, 24, 27, 29, and 22 mm) compared with the synthesized AgNPs (a zone of inhibition of 33, 25, 30, 32, 32, and 27 mm) against B. subtilis, E. faecalis, E. coli, P. vulgaris, and C. albicans, respectively. The minimum inhibitory concentration of the AgNPs was lower than that of the ME for all of t...
Saudi mintplant natural productsilver nanoparticles (AgNPs)antimicrobialantioxidant
📈 Validation de la méthode (ICH Q2)

Aucune donnée de validation. Contactez l'auteur de la méthode.

Paramètres selon : ICH Q2(R2) ↗

📋 Comparaison des méthodes
Technique Colonne Temps d'analyse Détection Phase mobile Source
HPLC-DAD C18 — UV 530 nm mobile phases were used to separate the phenolic… DOI ↗
HPLC CN — UV 735 nm mobile phase contained 10% solvent A (acetonitrile:water: formic… DOI ↗
HPLC C18 — UV 280 nm mobile phase, two buffers were used: buffer A… DOI ↗
🔧 Dépannage HPLC/GC
Pics larges / traînée
Causes : Colonne usée, mauvais pH de la phase, surcharge de la colonne, volume mort
Solution : Remplacer la colonne, vérifier le pH du tampon (±0.2), réduire le volume d'injection, vérifier les raccords
Dérive de la ligne de base
Causes : Phase mobile contaminée, gradient, température instable
Solution : Dégazer la phase, filtrer à 0.22 µm, stabiliser la température de la colonne, rincer le système
Aucun pic
Causes : Mauvaise longueur d'onde, la substance n'élue pas, décomposition thermique, mauvaise phase
Solution : Vérifiez λmax, allongez le gradient, abaissez la température, changez la phase mobile
Pics fantômes (ghost peaks)
Causes : Contamination du système, effet mémoire (carry-over), flacons contaminés
Solution : Nettoyer le système (MeOH/H₂O), utiliser des flacons neufs, injecter un blanc
Faible récupération
Causes : Adsorption sur les parois, extraction insuffisante, décomposition
Solution : Ajoutez un IS, silanisez la verrerie, optimisez l'extraction, vérifiez la stabilité

Sources : Snyder, Kirkland & Dolan ↗, Waters ↗

📊 Validation de la méthode HPLC (ICH Q2(R1)) PARTIAL

3 metrics need experimental data

Paramètre Valeur Unité Critère ICH Q2 Status
Linéarité (R²) aucune donnée unitless R² ≥ 0.999 (≥0.99 pour la bioanalytique) —
LOD (S/N = 3:1) aucune donnée ng/mL S/N ≥ 3:1 (concentration détectable la plus basse) —
LOQ (S/N = 10:1) aucune donnée ng/mL S/N ≥ 10:1 (LOQ ≥ 3×LOD typiquement) —
Précision (RSD intraday, n=6) aucune donnée % RSD RSD ≤ 2% (intraday) / ≤ 3% (interday) pour l'API —
Justesse (récupération, 3 niveaux) aucune donnée % (target 100±2%) Recovery 98-102% (target 100%) —
Plage de linéarité aucune donnée p. ex. 0.1-100 ng/mL Min. 80-120% de la concentration nominale —
Sélectivité/Spécificité aucune donnée qualitative Aucune interférence — pic d'analyte entièrement résolu (Rs ≥ 2.0) —
Robustesse (robustness) aucune donnée RSD < 2% à ±5% de variation RSD < 2% avec de petites variations de paramètres —
Légende : ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 Références scientifiques (Chicago Author-Date) — cliquez pour développer

Normes de validation des méthodes analytiques — 4 sources indépendantes (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.

· ⚠ Avertissements réglementaires SVHC/REACH ↑

🔧 Dépannage HPLC — arbre de décision 6 problèmes courants

Diagnostic des 12 problèmes HPLC les plus courants avec un arbre de décision (5 étapes par problème). Source : Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

Pics élargis (broad peaks) medium

Symptôme : Tous les pics du chromatogramme sont plus larges que prévu (FWHM > 2× la normale)

🔍 Arbre diagnostique :
  1. 1. Vérifiez si tous les pics sont élargis ou seulement certains
    → OUI : Tous → problème instrumental (colonne ou système)
    → NON : Seulement certains → problème de chimie (interaction avec la colonne pour des analytes spécifiques)
  2. 2. Remplacez par une colonne de test — le problème disparaît-il ?
    → OUI : COLONNE usée — garnissage endommagé, void dans les premiers mm. Remplacez-la.
    → NON : Problème dans le système LC
  3. 3. Vérifiez le volume mort (dead volume) — boucle d'injection, connexions, détecteur
    → OUI : Boucle > 100 µL pour une colonne de 4.6 mm ou connexions desserrées → remplacez les ferrules, raccourcissez les tubes
    → NON : Continuer le diagnostic
  4. 4. Test de température : augmentez la colonne de 25°C à 40°C
    → OUI : Pics plus étroits → cinétique de transfert de masse trop lente (augmentez T)
    → NON : Continue
  5. 5. Vérifiez le débit par rapport à l'optimum de van Deemter pour cette colonne
    → OUI : Optimum pour 4.6mm/5µm = 1.0 mL/min, pour 2.1mm/3µm = 0.4 mL/min
    → NON : Continue
⚠️ Causes courantes :
  • Colonne usée (>2000 injections sans précolonne)
  • Volume mort du système > 100 µL (mauvaise boucle, tubes longs, ferrules desserrées)
  • Température trop basse (cinétique de transfert de masse)
  • Débit hors de l'optimum de van Deemter
  • Solvant d'échantillon plus fort que la phase A
✓ Solutions :
  • ✓ Remplacez la colonne (si >2000 injections)
  • ✓ Vérifiez toutes les connexions — tubes aussi courts que possible
  • ✓ Augmentez la T de la colonne à 40°C (si la substance est stable)
  • ✓ Réduisez le débit à l'optimum de van Deemter
  • ✓ Dissolvez l'échantillon dans la phase A (pas dans un solvant organique pur)
Traînée des pics (tailing, T > 1.5) high

Symptôme : Les pics présentent une "traînée" allongée du côté de l'élution tardive (asymétrie T = b/a > 1.5 selon l'USP)

🔍 Arbre diagnostique :
  1. 1. La substance contient-elle des groupes basiques (amino, pyridine) ?
    → OUI : Oui → interactions silanol ! Ajoutez 0.1% de TFA ou 5-10 mM de TEA à la phase A.
    → NON : Continue
  2. 2. Vérifiez le pH de la phase mobile par rapport au pKa de la substance
    → OUI : pH = pKa ± 1 → ionisation partielle, peak split. Placez le pH à ≥ 2 unités du pKa.
    → NON : Continue
  3. 3. Vérifiez l'âge de la colonne (>1500 injections ?)
    → OUI : Oui → silanols exposés (column bleed). Remplacez par une colonne à endcapping supérieur (XTerra, Symmetry).
    → NON : Continue
  4. 4. L'échantillon contient-il des métaux (Fe, Cu provenant des flacons en verre) ?
    → OUI : Oui → utilisez des flacons incolores de type II ou en PFA. EDTA 0.1mM dans l'échantillon.
    → NON : Continue
⚠️ Causes courantes :
  • Interactions silanol (analyte basique + silanols libres du gel de silice)
  • pH à la limite du pKa de l'analyte (peak split)
  • Colonne ancienne (column bleed, activité silanol élevée)
  • Métaux dans l'échantillon (chélation → traînée)
  • Surcharge de la colonne (>50 µg sur une colonne de 4.6mm)
✓ Solutions :
  • ✓ Ajoutez 0.1% de TFA (UV) ou 0.1% d'acide formique (LC-MS) à la phase A
  • ✓ Choisissez une colonne à endcapping haute pureté : Waters XBridge BEH, Phenomenex Kinetex
  • ✓ Travaillez à un pH ≥ 2 unités du pKa
  • ✓ EDTA 0.1mM dans l'échantillon (chélation Fe/Cu)
  • ✓ Réduisez le volume d'injection à ≤ 20 µL pour une colonne de 4.6mm
Dérive de la ligne de base (baseline drift) medium

Symptôme : La ligne de base monte ou descend systématiquement pendant >5 minutes

🔍 Arbre diagnostique :
  1. 1. Utilisez-vous un gradient (B% augmente) ?
    → OUI : Oui → absorption différente des phases A vs B à dλ. Changement de solvant dans la coupure UV. Vérifiez l'absorbance UV du % d'organique.
    → NON : Continuer (isocratique)
  2. 2. Vérifiez la température de la colonne — est-elle stable à ±0.5°C ?
    → OUI : Oui (stable) → continuer
    → NON : Instable → activez le thermostat de colonne (>25°C contrôlé)
  3. 3. Test : coupez l'échantillonneur automatique, faites fonctionner seuls pompe+colonne+détecteur
    → OUI : La dérive disparaît → contamination de l'échantillonneur automatique (nettoyage de l'aiguille, septum)
    → NON : Continue
  4. 4. Vérifiez l'âge de la lampe (D2 pour UV)
    → OUI : Oui (>1500 heures) → remplacez la lampe
    → NON : Continue
⚠️ Causes courantes :
  • Élution en gradient avec coupure UV différente des phases
  • T de colonne instable
  • Contamination de l'aiguille/septum de l'échantillonneur automatique
  • Lampe UV ancienne (>1500h)
  • Cellule à circulation du détecteur encrassée
  • Colonne non équilibrée (<10 volumes de colonne)
✓ Solutions :
  • ✓ Pré-équilibrez la colonne sur 10-15 volumes de colonne à 100% A
  • ✓ Thermostat de colonne activé, T 30-40°C stable
  • ✓ Nettoyez la cellule à circulation du détecteur avec une solution 50:50 ACN:H2O
  • ✓ Remplacez la lampe D2 si >1500h
  • ✓ Utilisez la soustraction de ligne de base (Chromeleon, fonction native d'Empower)
Absence de pic / pic perdu (no peak) critical

Symptôme : Le pic d'analyte attendu n'apparaît pas sur le chromatogramme

🔍 Arbre diagnostique :
  1. 1. L'injection a-t-elle réellement eu lieu ?
    → OUI : Vérifiez le journal du passeur d'échantillons, la pression des pompes (elle devrait chuter lors de l'injection)
    → NON : Problème de passeur d'échantillons → vérifiez la boucle, l'aiguille, l'échantillon dans le flacon
  2. 2. L'échantillon est-il dans le flacon (volume correct, non évaporé) ?
    → OUI : Continue
    → NON : Pas d'échantillon — repipetez
  3. 3. Stabilité de l'échantillon — préparé il y a >24h ?
    → OUI : Oui → dégradation. Préparez un nouvel échantillon frais.
    → NON : Continue
  4. 4. Vérifiez la longueur d'onde de détection par rapport au λmax de la substance
    → OUI : La détection à λ ne correspond PAS au λmax → pas de signal. Scannez le DAD 200-400nm.
    → NON : Continue
  5. 5. Test : injectez un étalon pur (de concentration connue, frais)
    → OUI : L'étalon donne un pic → problème avec l'échantillon (matrice, dérivatisation)
    → NON : Pas de pic même avec l'étalon → problème du système (colonne, phase, gradient)
⚠️ Causes courantes :
  • Échantillon non prélevé du flacon (bug du passeur d'échantillons)
  • Échantillon dégradé (>24h pH/temp/lumière)
  • Détection à la mauvaise longueur d'onde
  • Phase mobile incorrecte (p. ex. TFA oublié)
  • Colonne inversée / phase stationnaire incorrecte
  • La substance est éluée au front (V0) → non retenue, non visible
✓ Solutions :
  • ✓ Préparez un nouvel échantillon frais selon le protocole exact
  • ✓ Scan UV-Vis DAD 200-400nm + recherche du λmax
  • ✓ Vérifiez la composition de la phase mobile — le TFA a-t-il été ajouté ?
  • ✓ Testez le sens inverse de la colonne (prudemment !)
  • ✓ Pour une rétention <1 min — abaissez le % B, MeOH au lieu d'ACN
  • ✓ Vérifiez la table "expected_rt" dans wp_molgod_hplc_methods
Pression trop élevée (pressure too high) critical

Symptôme : Pression des pompes > 80% du maximum de la colonne ou arrêt du système avec une erreur de haute pression

🔍 Arbre diagnostique :
  1. 1. Vérifiez que la colonne est raccordée correctement (sens de la flèche)
    → OUI : OK
    → NON : Colonne inversée → retournez-la (ne jamais l'utiliser "à l'envers")
  2. 2. Test : retirez la colonne du système, faites tourner la pompe+le détecteur seuls
    → OUI : La pression chute à <50 bar → problème dans la colonne (bouchée)
    → NON : La pression reste élevée → filtre en ligne bouché, fritte encrassée
  3. 3. Vérifiez le filtre de pré-colonne (fritte en ligne)
    → OUI : Encrassé et brun → remplacez-le
    → NON : Continue
  4. 4. Rincez la colonne à contre-courant avec 50:50 ACN:H2O sans la colonne — cela disparaît-il ?
    → OUI : Particules coincées dans le premier mm — un rinçage de 30 min peut la récupérer
    → NON : Remplacez la colonne
⚠️ Causes courantes :
  • Filtre en ligne (fritte) bouché par des particules
  • Relargage du tampon (précipitation à un % B élevé)
  • L'échantillon contient des matières en suspension (filtrer à 0.22 µm avant l'injection)
  • Colonne bouchée (column bed compaction)
  • Gradient avec phase tampon + beaucoup d'organique → précipitation de sel
✓ Solutions :
  • ✓ Filtrez TOUJOURS l'échantillon à 0.22 µm PVDF avant l'injection
  • ✓ Remplacez le filtre en ligne toutes les 100 injections (ou lorsque la pression augmente de >20%)
  • ✓ N'utilisez PAS >20mM de tampon phosphate + >70% d'ACN (le sel précipite)
  • ✓ Rincez la colonne 30 min avec 50:50 ACN:H2O en sens inverse (lorsque le fabricant l'autorise)
  • ✓ Pré-colonne 4×3mm pour protéger la colonne principale
Pics fantômes (ghost peaks) high

Symptôme : Pics inexpliqués sur le chromatogramme, absents de la calibration

🔍 Arbre diagnostique :
  1. 1. Test : injection à blanc (solvant pur de l'échantillon)
    → OUI : Un pic fantôme apparaît → contamination du système ou des éluants
    → NON : Apparaît uniquement avec l'échantillon → matrice
  2. 2. Le pic fantôme croît-il avec le gradient (élue à % B élevé) ?
    → OUI : Oui → colonne surchargée ou composé fortement retenu d'un cycle précédent
    → NON : Indépendant du gradient → effet mémoire (carryover) du passeur d'échantillons
  3. 3. Increase carryover wash (between injections)
    → OUI : Cela aide → l'effet mémoire (carryover) était en cause. Protocole de lavage plus puissant.
    → NON : Continue
  4. 4. Injection d'eau pure — y a-t-il un pic ?
    → OUI : Oui → contamination de la source d'eau (organiques provenant du système DI)
    → NON : Continue
⚠️ Causes courantes :
  • Effet mémoire (carryover) dans l'aiguille/la boucle du passeur d'échantillons
  • Contamination de l'éluant (même de qualité HPLC)
  • Composants fortement retenus de cycles précédents
  • Plastique dans les flacons (phtalates, PEG des capuchons)
  • Eau DI insuffisamment purifiée
✓ Solutions :
  • ✓ Renforcez le protocole de lavage : 100% B → 100% A → 50:50 (3 cycles)
  • ✓ Lavage puissant : DMSO 100% ou MeOH 100% avant la calibration
  • ✓ Filtrez les éluants à 0.22 µm PTFE en cas de doute
  • ✓ Utilisez du verre ambré + des capuchons à revêtement Téflon pour les échantillons
  • ✓ Rampe de gradient périodique jusqu'à 100% B pendant 10 min (nettoyage)
📚 Références scientifiques (Chicago Author-Date) — cliquez pour développer
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. Chapter 17 (Troubleshooting) pp. 559-616. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗]
  2. Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
  3. Kromidas, Stavros. 2017. HPLC Made to Measure: A Practical Handbook for Optimization. 2nd ed. Wiley-VCH. ISBN 978-3-527-31377-1. — Praktyczny przewodnik problem-solving dla labs analitycznych
  4. Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
  5. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Chapter 9 covers troubleshooting modern UHPLC systems (sub-2 µm particles).
  6. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — Solid step-by-step problem isolation chapter (eluents, columns, instruments).
  7. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Method-development companion volume with troubleshooting cross-refs.
  8. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗] — Theoretical basis for diagnosing efficiency losses (mass-transfer, eddy diffusion).
  9. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. 2120-2129. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — How to diagnose method failures vs. system failures (Plackett-Burman).
  10. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5. — Historical context for ghost-peak phenomenology (silica chemistry).
  11. Stoll, Dwight R., and Peter W. Carr. 2017. Two-Dimensional Liquid Chromatography: A State of the Art Tutorial. 519-531. https://doi.org/10.1021/acs.analchem.6b03506 [link ↗]
  12. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations. 1167-1182. https://doi.org/10.1002/jssc.200700026 [link ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. Probabilistic approach to peak deconvolution in chromatography. 8525-8531. https://doi.org/10.1021/ac101742z [link ↗]
📚 FAQ technique — Ethylene (5) MolGod_TECHFAQ_1
❓ Jak przygotować roztwór standardowy etylenu (C2H4) o stężeniu 1 mM?
Aby przygotować roztwór standardowy etylenu o stężeniu 1 mM, należy obliczyć masę substancji potrzebną do sporządzenia roztworu. Masa molowa etylenu wynosi 28.05 g/mol. Dla 1 litra roztworu (1 dm³) o stężeniu 1 mM (1 mmol/dm³): masa etylenu = 1 mmol * 28.05 g/mol = 0.02805 g. Rozpuścić 0.02805 g etylenu w odpowiednim rozpuszczalniku (np. heksanie) i uzupełnić do objętości 1 litra.
Utile ?
❓ Jak przechowywać etylen, aby zachować jego stabilność?
Etylen należy przechowywać w temperaturze poniżej -60°C (np. w ciekłym azocie) lub jako gaz pod ciśnieniem w butlach stalowych, z dala od światła i źródeł ciepła. Wilgotność powietrza nie powinna przekraczać 50%, aby uniknąć reakcji z wodą.
Utile ?
❓ Jaka metoda analityczna jest najlepsza do oznaczania etylenu w próbce?
Najlepszą metodą analityczną dla etylenu jest chromatografia gazowa (GC) z detektorem płomieniowo-jonizacyjnym (FID), ze względu na niską masę molową (28.05 g/mol) i lotność substancji. LogP etylenu wynosi około -1, co wskazuje na umiarkowaną rozpuszczalność w fazie stacjonarnej GC.
Utile ?
❓ Jakie są główne reakcje i niezgodności chemiczne etylenu?
Etylen jest bardzo reaktywnym alkenem. Reaguje z utleniaczami (np. nadtlenkiem wodoru), tworząc epoksydy, oraz z halogenkami (np. Cl2), dając dihalogenki. Nie należy go przechowywać w obecności silnych kwasów lub zasad, które mogą prowadzić do niepożądanych reakcji addycji.
Utile ?
❓ W jakich praktycznych zastosowaniach laboratoryjnych wykorzystuje się etylen?
Etylen jest używany w syntezie organicznej jako substrat do produkcji glikoli, alkoholi i estrów. W laboratoriach stosuje się go również do polimeryzacji (np. etylenu z innymi monomerami) oraz jako gaz nośny w chromatografii gazowej.
Utile ?
🧮 Calculateurs de laboratoire (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarité (M=n/V)
Tampon pH (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Masse → Moles
Concentration % → M
ppm → mg/L
Température C↔F↔K

Formules vérifiées : IUPAC Gold Book ↗, DOI ↗

📊 Bases de spectres spectroscopiques MolGod_SPECDB_3
🏷️ Générateur d'étiquette (QR) MolGod_LABEL_1
Éthylène• ETHYLENE / Ethene• CAS: 74-85-1• Formule: C2H4• Masse: 28.05 g/molDANGERMENTIONS DE DANGER GHS :H220: Gaz extrêmement inflammable.H336: Peut provoquer somnolence ou vertiges.P203: Se procurer, lire et suivre toutes les instructions de sécurité avantl’utilisation.DH ScientificScience first. Commerce as consequence.N° de lot: Masse nette: Fabr.:
ADMET — Profil pharmacologique
Chargement des prédictions ADMET…
Incidents historiques (CSB/EPA/Bretherick)

La base de données contient uniquement des incidents industriels et de laboratoire graves (CSB, EPA RMP, Bretherick). L'absence d'un enregistrement ne signifie PAS que la substance est sûre — la base de données est incomplète.

Incidents historiques (1)

  1. 1989-10-23 Pasadena, Texas, USA (Phillips 66 Houston Chemical Complex, HCC) Catastrophique explosion
    Substances : Ethylene (high-pressure HDPE feed) (CAS 74-85-1) + Oxygen / atmospheric air ingress (CAS 7782-44-7)
    23 ofiar smiertelnych 314 rannych

    Podczas konserwacji reaktora HDPE settling leg (rurociag 22") doszlo do otwarcia zaworu DEMCO w trakcie procedury maintenance. Uwolnienie ~38 ton mieszaniny etylen/izobutan/wodor stworzylo chmure gazowo-powietrzna, ktora zaplonila po ~90 sekundach (zrodlo nieustalone definitywnie). VCE o sile 2.4 ton TNT, zniszczyl HDPE complex.

    Cause profonde : Single-block valve zamiast double-block-and-bleed. Procedury LO/TO niewlasciwe (compressed air zasilajacy aktuatory zaworow podlaczony do "open" zamiast "close" portow). Brak gas detection w okolicy reactora. Unauthorized work przy non-routine maintenance.
    Enseignements tirés : Double-block-and-bleed valve standard dla high-pressure reactor isolation. Kierunek pneumatic actuators musi byc fail-safe. OSHA PSM standard 29 CFR 1910.119 (1992) jest bezposrednim wynikiem tego incydentu.
    Bibliographie (Chicago auteur-date)
    • U.S. Department of Labor, Occupational Safety and Health Administration. 1990. The Phillips 66 Company Houston Chemical Complex Explosion and Fire. Washington, DC: OSHA.
    • Atherton, John, and Frederic Gil. 2008. Incidents That Define Process Safety. Hoboken, NJ: Wiley-AIChE.
    • Khan, Faisal I., and S. A. Abbasi. 1999. "Major Accidents in Process Industries and an Analysis of Causes and Consequences." Journal of Loss Prevention in the Process Industries 12 (5): 361-378.
📚 Sources des données sur les incidents
  1. U.S. Chemical Safety and Hazard Investigation Board (CSB). 2024. "CSB Incident Investigation Reports." Washington, DC: CSB. 🔗
  2. U.S. EPA / NOAA. 2024. "CAMEO Chemicals Database." Washington, DC: U.S. Environmental Protection Agency. 🔗
  3. BARPI (French Bureau for Analysis of Industrial Risks and Pollutions). 2024. "ARIA Database of Industrial Accident Reports." Saint-Denis: BARPI/DGPR. 🔗
  4. U.S. OSHA. 2024. "OSHA Accident Investigation Reports." Washington, DC: Occupational Safety and Health Administration. 🔗
  5. Urben, Peter G., ed. 2017. Bretherick's Handbook of Reactive Chemical Hazards. 8th ed. Oxford: Elsevier. ISBN 978-0-08-100971-2.
  6. Mannan, Sam, ed. 2005. Lees' Loss Prevention in the Process Industries. 3rd ed. Oxford: Elsevier. ISBN 978-0-7506-7555-0.
  7. Hollnagel, Erik. 2004. Barriers and Accident Prevention. Aldershot: Ashgate. ISBN 978-0-7546-2271-9.
  8. Kletz, Trevor A. 2003. "Lessons from Disasters — How Organizations Have No Memory and Accidents Recur." Process Safety and Environmental Protection 81 (4): 283–287. 🔗
📚 Aperçu de la littérature scientifique — CAS 74-85-1MolGod_LITHUB_MAIN
⭐ Principales découvertes (littérature scientifique) 11 publications
🏆 CAS 74-85-1 — multi-criteria ranking (W12): 30% citations · 20% actualité · 20% thème · 15% historique · 15% open access.
  1. #1
    Marcin Krynski (2026) · Zenodo (CERN European Organization for Nuclear Research)
    Pourquoi c'est important : Récente (2026) · open access
    SCORE 6.25 Mécanisme Open Access DOI ↗
  2. #2
    Zhang X, Tao J, Huang Y et al. (2026) · Journal of genetics and genomics = Yi chuan xue bao
    Pourquoi c'est important : Récente (2026) · revue · open access
    SCORE 6.25 Revue Open Access DOI ↗ PubMed ↗
  3. #3
    Zhang J, Liu Z, Farrar EJ et al. (2026) · Nature
    Pourquoi c'est important : Récente (2026) · open access
    SCORE 6.25 Mécanisme Open Access DOI ↗ PubMed ↗
  4. #4
    Chatterjee S, Rankin JA, Farrugia MA et al. (2025) · Biochemistry
    Pourquoi c'est important : Récente (2025) · open access
    SCORE 6.25 Mécanisme Open Access DOI ↗ PubMed ↗
  5. #5
    Wang R, Bowerman AF, Chen Y et al. (2025) · Journal of experimental botany
    Pourquoi c'est important : Récente (2025) · open access
    SCORE 6.25 Mécanisme Open Access DOI ↗ PubMed ↗
  6. #6
    Zhao ZA, Li YR, Lei T et al. (2025) · Scientific reports
    Pourquoi c'est important : Récente (2025) · open access
    SCORE 6.25 Mécanisme Open Access DOI ↗ PubMed ↗
  7. #7
    He K, Xu L, He Q et al. (2024) · Journal of integrative plant biology
    Pourquoi c'est important : Récente (2024) · open access
    SCORE 6.25 Mécanisme Open Access DOI ↗ PubMed ↗
  8. #8
    Irfan M, Kumar P, Datta A (2025) · Methods in molecular biology (Clifton, N.J.)
    Pourquoi c'est important : Récente (2025)
    SCORE 4.8 Industrie DOI ↗ PubMed ↗
  9. #9
    Dong Y, Ma H, Shen Y et al. (2025) · The Plant journal : for cell and molecular biology
    Pourquoi c'est important : Récente (2025)
    SCORE 4 Mécanisme DOI ↗ PubMed ↗
  10. #10
    Guo Y, Gong J, Hu R et al. (2025) · The Plant journal : for cell and molecular biology
    Pourquoi c'est important : Récente (2025)
    SCORE 4 Mécanisme DOI ↗ PubMed ↗
  11. #11
    Shukla D (2025) · Methods in molecular biology (Clifton, N.J.)
    Pourquoi c'est important : Récente (2025)
    SCORE 4 Mécanisme DOI ↗ PubMed ↗

Description

Etylen, CAS 74-85-1

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📈 Gradient HPLC — optimiseur (LSS) MODÈLE

Gradient basé sur PubChem XLogP3 + LSS (Snyder et al. 2010, chap. 9).

  • Colonne: C18
  • Tampon: phosphate
  • Débit: 1 mL/min
  • logP: 1.2 (PubChem XLogP3)
  • Rampe: 15% → 95% B, 15 min
  • Temps d'analyse total: 28 min
t (min) %A %B flow (mL/min) Commentaire
0 85 15 1 début (équilibre)
2 85 15 1 fin du palier initial
17 5 95 1 fin de la rampe LSS
22 5 95 1 lavage de la colonne
23 85 15 1 retour à init
28 85 15 1 rééquilibrage
📚 Références scientifiques (Chicago Author-Date)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗]
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  14. Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531. [DOI ↗]

REST: /wp-json/molgod/v1/hplc/gradient/74-85-1

📐 Calculateur de symétrie de pic HPLC (USP Tf / As)

Calculez le facteur de traînée USP (T) et l'asymétrie (As) à partir des demi-largeurs du pic. Saisissez a (demi-largeur gauche) et b (demi-largeur droite) mesurées à 5% ou 10% de la hauteur du pic.

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

Calculez la résolution Rs, le nombre de plateaux théoriques N et la HETP (H) pour une paire de pics HPLC. Saisissez les temps de rétention, les largeurs de pic (à 50% ou à la base) et la longueur de la colonne.

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

Saisissez les données de 5-6 injections (aires, tr, traînée, plateaux) — le calculateur calcule le %RSD, les moyennes et vérifie la conformité à l'USP <621>. Vous pouvez coller un CSV (séparé par des virgules) ou modifier des valeurs individuelles.

📚 Références (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." USP-NF 2024 ed. United States Pharmacopeial Convention. [link ↗] — Defines RSD area < 2%, tailing < 2.0, N > 2000 acceptance criteria.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Section 5.4 — system suitability is part of method validation.
  3. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. [link ↗] — CDER reviewer perspective on chromatographic validation expectations.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. — Chapter 2 — system suitability fundamentals (RSD, Tf, N).
  5. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." — Robustness vs. system suitability — design-of-experiments framework.
  6. Rozet, Eric, et al.. 2013. "Analysis of recent pharmaceutical regulatory documents on analytical method validation."
  7. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. [link ↗] — EMA companion guideline with bioanalytical SS criteria.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. — UHPLC-specific suitability adjustments (n=5 vs. n=6).
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience.
  10. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. [link ↗] — Alternative SS thresholds for food/dietary samples.
  11. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial."
  12. Carr, Peter W.. 2009. "The new physical chemistry of HPLC."
  13. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations."
  14. Engelhardt, Heinz. 2014. "100 Years of Chromatography." 2nd ed. Wiley-VCH.
  15. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography."
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📚 RÉFÉRENCES (Bibliographie agrégée, Chicago Author-Date) 107 éléments

Toutes les sources scientifiques citées dans les accordéons ci-dessus pour le CAS 74-85-1. Format : Chicago Manual of Style, 17e éd., système Auteur-Date.

🗄️ Bases de données scientifiques

  1. NIST. 2026. NIST Chemistry WebBook: CAS 74-85-1. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=74-85-1. (Accessed 2026-11-12.)
  2. AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 74-85-1. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
  3. PubChem. 2026. PubChem Compound Summary: CAS 74-85-1. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=74-85-1. (Accessed 2026-11-12.)
  4. ECHA. 2026. C&L Inventory and REACH Registration: CAS 74-85-1. Helsinki: European Chemicals Agency. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp. (Accessed 2026-11-12.)

📐 Normes / Lignes directrices

  1. ICH. 2026. "ICH Harmonised Guideline: CAS 74-85-1." Geneva: International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf. (Accessed 2026-11-12.)
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Livres

  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.

📘 Monographies

  1. IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 74-85-1. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/. (Accessed 2026-11-12.)

📄 Articles scientifiques (évalués par les pairs)

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

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