stirene — etichetta CAS 100-42-5

stirene

IARC Gruppo 2A — Probabilmente cancerogena per l'uomo
CAS: 100-42-5 | Fonte IARC

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Reagente chimico Styren (CAS 100-42-5). Scheda enciclopedica completa — classificazione, proprietà e dati di sicurezza — di seguito.

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MolGod_SDSCARD_1
REACH 2020/878
v2 · 22.07.2026
Category:
🧬 Visualizzatore di molecole 3D
Caricamento molecola...
Modello 3D Styrene, CAS 100-42-5, formula molecolare C8H8, massa molare 104.15 g/mol
Panoramica chimica: StyreneMolGod_OVERVIEW_1
Formula molecolareC8H8
Peso molecolare104.15 g/mol
Punto di fusione-30.6 °C
Densità0.91 g/cm³
LogP (lipofilia)2.9
Nome IUPACstyrene
SMILESC=CC1=CC=CC=C1
InChIKeyPPBRXRYQALVLMV-UHFFFAOYSA-N

Sinonimi: STYRENE · Ethenylbenzene · 100-42-5 · Phenylethylene · Vinylbenzene

Fonti dei dati: PubChem (NLM/NIH)
Ultimo aggiornamento: 2026-11-10

🎓 Badania akademickie: Styrene

#1🎓Institute for Biophysical Chemistry and Center for Biomolecular Magnetic Resonan📅 2026
Detection of an Antagonist Bound to the Neurokinin a Receptor in Styrene-Maleic Acid Lipid Particles by (19)F Ultrafast…
Seidl S; Patra AP; Li C; Becker-Baldus J; Kaiser S; Reinhart C.
Rapporto LAB completo →
#2🎓Daegu Gyeongbuk Institute of Science and Technology (DGIST)📅 2026
Biotransformation of Acrylonitrile-Butadiene-Styrene Using Brevibacillus nitrificans isolated from Effective Microorganisms
Maidarjav A; Nyamjav I; Lee E; Jeon S; Kim HR; Cho JH.
Rapporto LAB completo →
#3🎓School of Basic Medicine📅 2026
Enrichment and Preservation of Urine Metabolites Using Styrene Divinylbenzene Reversed Phase Sulfonate (SDB-RPS) Disks for Enhanced Biomarker Discovery…
Wang A; Xu J; Sun J; Ma J; Wang L; Liu X.
Rapporto LAB completo →
#4🎓Li Ka Shing Institute of Health Sciences📅 2026
Novel bacterium Enterocloster sp. M3 promotes colorectal tumorigenesis via the production of the carcinogen styrene
Zeng Y; Huang Y; Ye S; Lau EYT; Chiu MC; Fenske L.
Rapporto LAB completo →
#5🎓College of Science📅 2025
Synthesis and characterization of Fe(II)- and Cr(II)-complexes with isatin-aryl hydrazone ligand as bio-reactive reagents and effective catalysts for…
Adam MSS.
Rapporto LAB completo →
#6🎓Faculty of Chemistry📅 2025
Photopolymerization of Styrene-Naphthalenediimide Monomer: Formation of Pattern and Electrochromism
Nowacki M; Hoffmann M; Wałęsa-Chorab M.
Rapporto LAB completo →

RICERCA SCIENTIFICA

[1]PubMed2026
Whole-genomic and transcriptomic analyses elucidate p-cresol and styrene degradation metabolism in Rhodococcus opacus 1CP
Kumaran S; Heine T; Gröning JAD; Schlömann M; Albersmeier A; Busche T. 2026. "Whole-genomic and transcriptomic analyses elucidate p-cresol and styrene degradation metabolism in Rhodococcus opacus 1CP.
Faculty for Biology and Biotechnology
Vai allo studio completo ↗
[2]EuropePMC2025
Re-assessment of the risks to public health related to the genotoxicity of styrene present in plastic food contact…
EFSA Panel on Food Contact Materials (FCM), Claude L, Crebelli R, Da Silva M, Grob K, Lampi E, Milana MR, Pronk M, Ščetar M, Theodoridis G, Van Hoeck E, Waegeneers N, Bolognesi C, Di Consiglio E, Meng
Vai allo studio completo ↗
[3]PubMed2025
Influence of lipid saturation on the structural properties of styrene maleic acid lipid nanoparticles (SMALPs)
Okorafor EA; Gordon EA; Sahu ID; Shah MZ; Konkolewicz D; Lorigan GA. 2025. "Influence of lipid saturation on the structural properties of styrene maleic acid lipid nanoparticles (SMALPs)." Biochimica
Miami University
Vai allo studio completo ↗
📊 Proprietà fisico-chimiche

Riferimento rapido

Formula: C8H8
MW: 104.15 g/mol
CAS: 100-42-5
Aspetto: Colorless to yellowish, oily liquid
Odore: Characteristic, sweet, balsamic, almost floral odor that is extremely penetrating
Odore: Characteristic, sweet, balsamic, almost floral odor that is extremely penetrating

Proprietà dettagliate

Proprietà Valore Unità Conditions Source
Densità (ρ) 0.9100 g/cm³ 20 °C (68 °F)
Punto di fusione (mp) -30.60 °C (-23.1 °F) decomp.
Punto di ebollizione (bp) 293 to 295 °F at 760 mmHg (NTP, 1992) PubChem (NIH/NLM) ↗
Punto di infiammabilità 88 °F (NTP, 1992) PubChem (NIH/NLM) ↗
Tensione di vapore 4.3 mmHg at 59 °F ; 9.5 mmHg at 86 °F; 10 mmHg at 95 °F (NTP, 1992) PubChem (NIH/NLM) ↗
Solubilità in acqua less than 1 mg/mL at 66 °F (NTP, 1992) PubChem (NIH/NLM) ↗
Viscosità (η) 0.696 cP at 25 °C (77 °F) PubChem (NIH/NLM) ↗
Indice di rifrazione (nD) Index of refraction: 1.5440 at 25 °C (77 °F) PubChem (NIH/NLM) ↗
🔬 Proprietà avanzate

Identificatori chimici

SMILES: C=CC1=CC=CC=C1
InChI: InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey: PPBRXRYQALVLMV-UHFFFAOYSA-N

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

Ultimo aggiornamento: 2026-06-30

Stato normativo della sostanza
Questa sostanza è soggetta a requisiti normativi: gestione dei rifiuti pericolosi (BDO). Dettagli nella sezione "Stato normativo (REACH/ECHA/CLP)" e nella scheda SDS. Informazione normativa — non limita l'acquisto nel negozio.
🧮 Calcolatore stechiometricoMolGod_STOICH_1
🔍 Identificatori esterniMolGod_EXTID_1
13 su 16 sistemi ID81%
DatabaseIdentificatoreAzioni
CAS Registry Number100-42-5Apri →
PubChem CID7501Apri →
InChIKeyPPBRXRYQALVLMV-UHFFFAOYSA-NApri →
InChIInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
SMILESC=CC1=CC=CC=C1
EC Number202-851-5Apri →
KEGG CompoundC07083Apri →
HMDBHMDB0034240Apri →
ChemSpider7220Apri →
MeSH UID (NLM)D020058Apri →
UNII (FDA)44LJ2U959VApri →
NSC Number (NCI)62785Apri →
WikiData QIDQ28917Apri →

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

📡 Spettroscopia — CAS 100-42-5MolGod_SPECHUB_MAIN
📊 Spettri (NMR, IR, MS, UV-Vis) (1)

Tipi di spettri disponibili: IR

Spettro IR (KBr, 4000-400 cm⁻¹)

488 punti dati · Fonte: NIST WebBook · NIST ↗ · 📥 JCAMP-DX
📋 Tabella dei picchi (peak assignment)
Type Position Intensità Assegnazione
IR 402.49 0.5 —
IR 409.45 0.6 —
IR 416.41 0.7 —
IR 423.37 0.7 —
IR 430.33 0.7 —
IR 437.29 0.7 —
IR 444.25 0.8 —
IR 451.21 0.8 —
IR 458.17 0.9 —
IR 465.13 0.9 —
IR 472.1 0.9 —
IR 479.06 0.9 —
IR 486.02 0.9 —
IR 492.98 0.9 —
IR 499.94 0.9 —
IR 506.9 0.9 —
IR 513.86 1 —
IR 520.82 1 —
IR 527.78 1 —
IR 534.74 1 —
🎓 Guida all'interpretazione degli spettri (per studenti)
Come leggere uno spettro IR
  • 3200-3600 cm⁻¹ — stiramento O-H (picco allargato = legame a idrogeno)
  • 2850-3000 cm⁻¹ — stiramento C-H (sp³)
  • 1650-1750 cm⁻¹ — stiramento C=O (chetoni, aldeidi, esteri)
  • 1400-1600 cm⁻¹ — vibrazioni dell'anello aromatico
  • 1000-1300 cm⁻¹ — stiramento C-O (eteri, alcoli)
  • Nessun assorbimento = gruppo funzionale assente → confrontare con un riferimento

Fonti: LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 Riferimenti scientifici (Chicago Author-Date) (9 sources)

📚 La bibliografia dei libri è in attesa di generazione. I manuali generali curati sono disponibili qui sotto; i libri di Google Books specifici per CAS possono essere scaricati dal pannello di amministrazione.

  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. ↗
📐 Proprietà fisico-chimiche (database) 7 campi MolGod Score: Nessuna fonte
Proprietà Valore Unità Conditions Source
Punto di fusione -30.60 °C decomp.
Punto di ebollizione rozkłada się — przed wrzeniem (decomp.)
Solubilità in acqua 0.300 g/L 25°C
Densità (ρ) 0.9100 g/cm³ 20°C
Punto di infiammabilità 31.00 °C closed cup
Temperatura di autoaccensione 490.00 °C in air
logP (ottanolo/acqua) 2.900 — 25°C
📚 Riferimenti scientifici (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. ↗
🔄 Convertitore di unità di concentrazione LIVE MolGod_UNITCONV_1

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

MW: 104.15 g/mol · IUPAC Gold Book ↗

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

Calcoli secondo: IUPAC Gold Book ↗, Merck ↗

Compatibilità con i solventiMolGod_SOLV_1

Stima basata sulla solubilità in acqua e sul logP. Dati indicativi — non sostituiscono studi sperimentali.

SolventeCompatibilitàNoteRiferimenti
Water- ScarsalogP suggerisce lipofilia
EtOH~ ModerataSolubilità parziale
Acetone~ ModerataParzialmente compatibile
DCM+ BuonaDCM — buono per composti apolari
DMSO~ ModerataIl DMSO dissolve la maggior parte dei composti organici
THF+ BuonaTHF — ampio intervallo di solubilità
Hexane+ BuonaEsano — ideale per composti apolari
CHCl3+ BuonaCHCl3 — buono per composti mediamente polari e apolari

Fonti dei dati per logP/solubilità: logP: 2.90

📚 Riferimenti scientifici per i solventi (Chicago Author-Date) — fare clic per espandere

Ogni solvente dispone di 5 fonti scientifiche indipendenti (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/GESTIS). Citazioni complete di seguito.

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 ↗]
Teoria della solubilità (applicata nella previsione della compatibilità):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. Boca Raton, FL: CRC Press. https://doi.org/10.1201/9781420006834 — Tripletta HSP (dD, dP, dH) + formula 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 100-42-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

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

🛡️ Sicurezza — CAS 100-42-5MolGod_SAFEHUB_MAIN
Avviso sulle limitazioni dei dati. Le informazioni sulla sicurezza contenute in questa pagina hanno carattere informativo e non sostituiscono la scheda di dati di sicurezza (SDS) completa. Prima di utilizzare il prodotto, consultare la scheda di dati di sicurezza aggiornata del produttore e le linee guida GHS/CLP. La classificazione CLP riguarda la sostanza pura bulk, non i preparati commerciali.

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

⚠️ Pericolo (Danger)
GHS02 — Infiammabile
GHS02 Infiammabile
GHS07 — Irritante / nocivo
GHS07 Irritante / nocivo
GHS08 — Pericolo per la salute
GHS08 Pericolo per la salute

🚨 Indicazioni di pericolo (H)

  • H226 — Liquido e vapori infiammabili.
  • H361d — Sospettato di nuocere al feto.
  • H332 — Nocivo se inalato.
  • H372 — Provoca danni agli organi in caso di esposizione prolungata o ripetuta.
  • H315 — Provoca irritazione cutanea.
  • H319 — Provoca grave irritazione oculare.

🛡 Consigli di prudenza (P)

  • P203 — Procurarsi, leggere e seguire tutte le istruzioni di sicurezza prima dell’uso.
  • P261 — Evitare di respirare la polvere/i fumi/i gas/la nebbia/i vapori/gli aerosol.
  • P273 — Non disperdere nell’ambiente.

✓ Classificazione armonizzata ai sensi dell'allegato VI del regolamento CLP (CE) 1272/2008 (classificazione ufficiale, vincolante). Numero indice: 601-026-00-0.

Riferimento (Chicago): European Chemicals Agency. "styrene, Index No. 601-026-00-0." 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 — Gruppo 2A: probabilmente cancerogeno per l'uomo. (Valutazione indipendente delle evidenze di cancerogenicità da parte di IARC/WHO — integra la classificazione CLP soprastante.)
Riferimento (Chicago): IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 100-42-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/. (Accessed 2026-11-12.)
Classificazione dall'elenco locale MOL-GOD (snapshot) — non verificata rispetto all'elenco IARC corrente. Verifica

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

📚 Riferimenti scientifici consolidati — Chicago Author-Date 10 sources

Riferimenti raccolti da tutte le schede del Safety Hub. CAS: 100-42-5 · PubChem ↗

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

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

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

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

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

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

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

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

Passo 1: Scegli un sistema tampone

📜 Cronologia delle ricette (ultime 10)
🔬 Metodi HPLC/GC (2 metod)
📄
Comparative effects of high hydrostatic pressure versus thermal processing on quality attributes and volatile profiles in non-concentrated and concentrated tomato juice
HPLCFood Chemistry: X202685% ✓OAResearch method (specificity, robustness)
Colonna: C18, 5 μm
Fase: mobile phase was used, comprising 87% water (eluent A) and 13% acetonitrile…
Rivelazione: MS
Flusso: 0.50 mL/min
Temp.: 50.0 °C
Inj.: 1 μL
Gradient: elution program was as follows: 0–3 min, linear gradient from 5%…
Wang X, Liu C, Zheng Y, Li S, Hu X, Zhu Z. Comparative effects of high hydrostatic pressure versus thermal processing on quality attributes and volatile profiles in non-concentrated and concentrated tomato juice. Food Chemistry: X. 2026;37:104186. doi:10.1016/j.fochx.2026.104186
🔗 DOI🏠 PMC📄 PDF
High hydrostatic pressure (HHP) is a commercial non-thermal technology for fruit juice, but the interactive effects of prior evaporation concentration and subsequent HHP pasteurization on juice quality have not been systematically evaluated. In this study, the effects of HHP and thermal processing on quality attributes and volatile compounds of both non-concentrated and concentrated tomato juice were comprehensively investigated using HPLC, LC–MS, and GC–MS. The results demonstrated that thermal processing caused significantly greater degradation of color, all-trans-lutein, all-trans-β-carotene, and ascorbic acid than HHP in both juice types. By contrast, total lycopene, total phenols, and caffeic acid remained stable across all processing conditions. Furthermore, the concentration step significantly altered the volatile profile of tomato juice and exerted a cumulative effect on the changes induced by subsequent HHP or HTST treatment. Collectively, these findings confirm that HHP offers distinct advantages for lightly concentrated tomato juice, thereby providing a theoretical basis for its production.
High hydrostatic pressureConcentrationTomato juiceAntioxidant componentsVolatile profile
📄
Impact of Vehicle Composition on Solubility, Autoclave Sterilization Stability, and Antibacterial Activity of Ciprofloxacin Hydrochloride Ear Drops
HPLCInternational Journal of Molecular Sciences202595% ✓CC-BYResearch method (specificity, robustness)
Colonna: C18, 5 μm
Fase: mobile phase comprising acetonitrile and 0
Rivelazione: UV 278 nm
Flusso: 1.50 mL/min
Temp.: 121.0 °C
Inj.: 10 μL
Samee W, Tadtong S, Eiamart W, Singwiset P, Yingyomsarn S, Nunthanavanit P. Impact of Vehicle Composition on Solubility, Autoclave Sterilization Stability, and Antibacterial Activity of Ciprofloxacin Hydrochloride Ear Drops. International Journal of Molecular Sciences. 2025;26:4458. doi:10.3390/ijms26094458
🔗 DOI🏠 PMC📚 PubMed📄 PDF
This research focused on the formulation of ciprofloxacin hydrochloride ear drops for the treatment of acute otitis externa, caused by pathogens such as Staphylococcus aureus and Pseudomonas aeruginosa. The study aimed to enhance the solubility of ciprofloxacin at physiological pH and improve its stability during autoclave sterilization by employing polyalcohol vehicle systems composed of deionized water, glycerin, and propylene glycol. Formulations containing 0.33% w/v ciprofloxacin HCl were evaluated for solubility within a pH range of 4.0 to 7.0 and underwent autoclave sterilization to assess their chemical stability and antibacterial efficacy. Following sterilization, the formulations were stored at 25 °C in amber containers for a duration of 180 days. High-performance liquid chromatography (HPLC) was utilized to evaluate chemical stability, while antibacterial activity was determined using the disk diffusion method. The results demonstrated that glycerin and propylene glycol effectively inhibited ciprofloxacin precipitation at physiological pH. The ciprofloxacin content decreased by less than 3.58% while preserving antimicrobial efficacy against S. aureus and P. aeruginosa. Both formulations retained over 90% of their labeled drug content, indicating a minimum shelf life of 180 days under the specified storage conditions.
ciprofloxacinsolubilitystabilityear dropssterilizationchromatographyantibacterial
📈 Validazione del metodo (ICH Q2)

Nessun dato di validazione. Contattare l'autore del metodo.

Parametri secondo: ICH Q2(R2) ↗

📋 Confronto dei metodi
Technique Colonna Tempo di analisi Rivelazione Fase mobile Source
HPLC C18 — MS mobile phase was used, comprising 87% water (eluent… DOI ↗
HPLC C18 — UV 278 nm mobile phase comprising acetonitrile and 0 DOI ↗
🔧 Risoluzione problemi HPLC/GC
Picchi larghi / tailing
Cause: Colonna usurata, pH della fase errato, sovraccarico della colonna, dead volume
Soluzione: Sostituire la colonna, verificare il pH del tampone (±0.2), ridurre il volume di iniezione, controllare i raccordi
Deriva della linea di base
Cause: Fase mobile contaminata, gradiente, temperatura instabile
Soluzione: Degassare la fase, filtrare 0.22 µm, stabilizzare la temperatura della colonna, lavare il sistema
Nessun picco
Cause: Lunghezza d'onda errata, la sostanza non eluisce, decomposizione termica, fase errata
Soluzione: Verificare λmax, prolungare il gradiente, abbassare la temperatura, cambiare la fase mobile
Picchi fantasma (ghost peaks)
Cause: Contaminazione del sistema, carry-over, flaconcini contaminati
Soluzione: Pulire il sistema (MeOH/H₂O), usare nuove fiale, iniettare un bianco
Basso recupero
Cause: Adsorbimento sulle pareti, estrazione insufficiente, decomposizione
Soluzione: Aggiungi IS, silanizza la vetreria, ottimizza l'estrazione, verifica la stabilità

Fonti: Snyder, Kirkland & Dolan ↗, Waters ↗

📊 Validazione del metodo HPLC (ICH Q2(R1)) PARTIAL

3 metrics need experimental data

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

Standard di convalida dei metodi analitici — 4 fonti indipendenti (ICH + USP + AOAC + Snyder).

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

· ⚠ Avvisi normativi SVHC/REACH ↑

🔧 Risoluzione dei problemi HPLC — albero decisionale 6 problemi comuni

Diagnostica dei 12 problemi HPLC più comuni con albero decisionale (5 passaggi per problema). Fonte: Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

Picchi allargati (broad peaks) medium

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

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

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

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

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

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

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

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

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

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

Sintomo: Picchi inspiegabili sul cromatogramma assenti nella calibrazione

🔍 Albero diagnostico:
  1. 1. Test: iniezione in bianco (solvente puro del campione)
    → SÌ: Compare un ghost → contaminazione del sistema o degli eluenti
    → NO: Compare solo con il campione → matrice
  2. 2. Il ghost cresce con il gradiente (eluisce ad alta %B)?
    → SÌ: Sì → colonna sovraccarica o composti fortemente trattenuti dalla corsa precedente
    → NO: Indipendente dal gradiente → carryover dell'autocampionatore
  3. 3. Increase carryover wash (between injections)
    → SÌ: Aiuta → il carryover era la causa. Protocollo di lavaggio più forte.
    → NO: Continue
  4. 4. Iniezione di acqua pura — c'è un picco?
    → SÌ: Sì → contaminazione della fonte d'acqua (sostanze organiche dal sistema DI)
    → NO: Continue
⚠️ Cause comuni:
  • Carryover nell'ago/loop dell'autocampionatore
  • Contaminazione dell'eluente (anche di grado HPLC)
  • Componenti fortemente trattenuti da corse precedenti
  • Plastica nelle fiale (ftalati, PEG dai tappi)
  • Acqua DI insufficientemente purificata
✓ Soluzioni:
  • ✓ Rafforzare il protocollo di lavaggio: 100% B → 100% A → 50:50 (3 cicli)
  • ✓ Lavaggio forte: DMSO 100% o MeOH 100% prima della calibrazione
  • ✓ Filtrare gli eluenti con PTFE 0.22 µm in caso di dubbio
  • ✓ Usare vetro ambrato + tappi con rivestimento in Teflon per i campioni
  • ✓ Rampa di gradiente periodica fino a 100% B per 10 min (clean-out)
📚 Riferimenti scientifici (Chicago Author-Date) — fare clic per espandere
  1. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. John Wiley & Sons. Chapter 17 (Troubleshooting) pp. 559-616. ISBN 978-0-470-16754-0. https://doi.org/10.1002/9780470508183 [link ↗]
  2. Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
  3. Kromidas, Stavros. 2017. HPLC Made to Measure: A Practical Handbook for Optimization. 2nd ed. Wiley-VCH. ISBN 978-3-527-31377-1. — Praktyczny przewodnik problem-solving dla labs analitycznych
  4. Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
  5. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. 2nd ed. Wiley. ISBN 978-1-119-31378-3. https://doi.org/10.1002/9781119313793 [link ↗] — Chapter 9 covers troubleshooting modern UHPLC systems (sub-2 µm particles).
  6. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. 5th ed. Wiley. ISBN 978-0-470-68218-0. — Solid step-by-step problem isolation chapter (eluents, columns, instruments).
  7. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. Practical HPLC Method Development. 2nd ed. Wiley. ISBN 978-0-471-00703-6. — Method-development companion volume with troubleshooting cross-refs.
  8. Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗] — Theoretical basis for diagnosing efficiency losses (mass-transfer, eddy diffusion).
  9. Heyden, Yvan Vander, et al.. 2009. Robustness of pharmaceutical liquid chromatographic methods. 2120-2129. https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗] — How to diagnose method failures vs. system failures (Plackett-Burman).
  10. Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5. — Historical context for ghost-peak phenomenology (silica chemistry).
  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 ↗]
🧪 Solubilità e compatibilità con i solventi MolGod_SOLUB_1
Molecola
Styrene
Formula
C8H8
logP
2.90
Massa (g/mol)
104.15
Polarità
Idrofoba (apolare)

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

Solvente Compat. Ra Visuale GC-MS HPLC Applications Riferimenti
Water (H₂O)− Scarsa45.8
✗ NieA (aqueous) (RP)
tamponecoltura cellulareanaliticoestrazione (idrofila)
Ethanol (EtOH)− Scarsa22.6
✗ NieA/B modifier (RP/NP)
extractionspettroscopia (UV-Vis)sintesimodificatore HPLC
Methanol (MeOH)− Scarsa26.2
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone− Scarsa14.4
✗ NieB modifier (NP)
GC headspacecristallizzazionesgrassaggiosintesi
Acetonitrile (ACN)− Scarsa20.1
✗ NieB (RP) (RP)
eluente HPLC (gold standard)LC-MS (wolny cut-off UV 190 nm)analisi dei peptidi
DMSO− Scarsa23.2
✗ NieN/A (N/A)
NMR (d6-DMSO)biologia cellulare (crioconservazione)somministrazione di farmacisintesi
THF− Scarsa13.7
✗ NieB (NP) (NP)
GPC/SEC (analisi dei polimeri)sintesi di Grignardorganometallici
DCM (CH₂Cl₂)− Scarsa15.2
✓ TakB (NP) (NP)
extractionNP-HPLCGC-MScristallizzazione (anti-solvente)
Chloroform (CHCl₃)− Scarsa13.3
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)estrazione dei lipidi (metodo Folch)NP-TLC
Hexane+ Buona5.8
✓ TakA (NP) (NP)
NP-HPLCestrazione di oli (lipidi)GC-MSTLC (NP)
Toluene− Scarsa12.2
✓ TakB (NP) (NP)
NMR (d8-toluene)sintesiessiccazione azeotropica Dean-Stark
📚 Riferimenti scientifici per i solventi (Chicago Author-Date) — clicca per espandere

11 solventi × 5 fonti scientifiche indipendenti (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS). 55+ citazioni complete di seguito.

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
Teoria della solubilità (applicata nella previsione della compatibilità):
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — Tripletta HSP (dD, dP, dH) + formula Ra.
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Set tabulare completo di 250+ solventi (ε, μ, donicità, numeri di accettore).
  8. PubChem Compound Database — CAS 100-42-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

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

📚 FAQ tecniche — Styrene (5) MolGod_TECHFAQ_1
❓ Jak przygotować roztwór standardowy styrenu o stężeniu 1 mM?
Aby przygotować roztwór standardowy styrenu (CAS 100-42-5) o stężeniu 1 mM, należy obliczyć masę substancji potrzebną do sporządzenia 1 litra roztworu. Masa molowa styrenu wynosi 104.15 g/mol. Stężenie 1 mM oznacza 1 mmol/L, czyli 1 mg/mL. Obliczenia: 1 mmol * 104.15 mg/mmol = 104.15 mg styrenu na 1 L roztworu. Następnie odważ 104.15 mg styrenu i rozpuść w minimalnej ilości rozpuszczalnika (np. toluen), a następnie uzupełnij do objętości 1 litra odpowiednim rozpuszczalnikiem.
Utile?
❓ W jakich warunkach należy przechowywać styren, aby zachować jego stabilność?
Styren (CAS 100-42-5) powinien być przechowywany w temperaturze poniżej 25°C, w szczelnie zamkniętych pojemnikach, z dala od światła słonecznego i źródeł ciepła. Wilgotność powietrza nie powinna przekraczać 60%. Zaleca się przechowywanie w lodówce (4-8°C) dla długoterminowego zachowania stabilności.
Utile?
❓ Jaka metoda analityczna jest najbardziej odpowiednia do analizy styrenu i dlaczego?
Najbardziej odpowiednią metodą analityczną dla styrenu (CAS 100-42-5) jest chromatografia gazowa (GC) z detektorem płomieniowo-jonizacyjnym (FID). Styren ma niską masę molową (104.15 g/mol) i umiarkowaną polarność, co sprawia, że jest lotny i dobrze rozdziela się na kolumnach GC. Alternatywnie, można zastosować wysokosprawną chromatografię cieczową (HPLC) z odpowiednim detektorem (np. UV) dla próbek nielotnych lub wrażliwych na temperaturę.
Utile?
❓ Jakie są główne reakcje chemiczne i niezgodności styrenu, które należy uwzględnić w laboratorium?
Styren (CAS 100-42-5) jest podatny na polimeryzację pod wpływem światła i ciepła. Reaguje z silnymi utleniaczami (np. nadtlenkiem wodoru) oraz zasadami (np. NaOH), tworząc niepożądane produkty. Nie należy go mieszać z kwasami Lewisa (np. AlCl3) bez odpowiednich środków ochronnych. W laboratorium należy unikać kontaktu z wilgocią i przechowywać w suchych warunkach.
Utile?
❓ W jakim praktycznym zastosowaniu laboratoryjnym wykorzystuje się styren jako odczynnik?
Styren (CAS 100-42-5) jest powszechnie stosowany jako monomer w syntezie polistyrenu oraz jako substrat w reakcjach chemicznych, takich jak addycja do związków aromatycznych. W laboratorium wykorzystuje się go również do przygotowywania standardów w analizie chromatograficznej (GC/HPLC) oraz jako rozpuszczalnik dla substancji organicznych o podobnej polarności.
Utile?
🧮 Calcolatori da laboratorio (8) MolGod_LABCALC_1
Dilution (C₁V₁=C₂V₂)
Molarità (M=n/V)
Tampone pH (Henderson-Hasselbalch)
Beer-Lambert (A=εcl)
Massa → Moli
Concentration % → M
ppm → mg/L
Temperature C↔F↔K

Formule verificate: IUPAC Gold Book ↗, DOI ↗

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

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

🏷️ Generatore di etichette (QR) MolGod_LABEL_1
Stirene• STYRENE / Ethenylbenzene• CAS: 100-42-5• Formula: C8H8• Massa: 104.15 g/molPERICOLOINDICAZIONI DI PERICOLO GHS:H226: Liquido e vapori infiammabili.H332: Nocivo se inalato.H315: Provoca irritazione cutanea.H319: Provoca grave irritazione oculare.DH ScientificScience first. Commerce as consequence.N. lotto: Massa netta: Prod.:
ADMET — profilo farmacologico
Caricamento delle predizioni ADMET…
🧪 Assistente di preparazione della soluzione (Smart Prep) MolGod_PREP_2

Inserisci cosa vuoi preparare — genererò una SOP

Esempi qui sotto — clicca per inserire:
Ricette predefinite:
📚 Panoramica della letteratura scientifica — CAS 100-42-5MolGod_LITHUB_MAIN
⭐ Risultati principali (letteratura scientifica) 20 publications
🏆 CAS 100-42-5 — multi-criteria ranking (W12): 30% citazioni · 20% recency · 20% topic · 15% historical · 15% open access.
  1. #1
    Schloemann, M., Eulberg, D., Kaschabek, S.R. et al. (2009) · Journal of Bacteriology
    Perché è importante: 123 citations · open access
    SCORE 9.33 Farmacologia Citazioni: 123 Open Access DOI ↗
  2. #2
    Chunxu Zhao, Xiaohan Chen, Xian Chen (2022) · Polymers
    Perché è importante: Open access
    SCORE 7.95 Meccanismo Citazioni: 4 Open Access DOI ↗
  3. #3
    Groning, J.A.D., Michael Schlömann, Kaschabek, S.R. et al. (2010) · American Society for Microbiology
    Perché è importante: Open access
    SCORE 7.89 Meccanismo Citazioni: 75 Open Access DOI ↗
  4. #4
    et al. (2026) · ACS Omega
    Perché è importante: Recente (2026) · open access
    SCORE 7.85 Industria Open Access DOI ↗ PubMed ↗
  5. #5
    et al. (2026) · Polymers
    Perché è importante: Recente (2026) · open access
    SCORE 7.85 Meccanismo Open Access DOI ↗ PubMed ↗
  6. #6
    Tianxi Li; Chaolun Pan; Dongmei Yue (2026) · Polymers
    Perché è importante: Recente (2026) · open access
    SCORE 7.05 Industria Open Access DOI ↗ PubMed ↗
  7. #7
    Yanqing Cui; Qianhong Diao; Xian Liang (2026) · Materials
    Perché è importante: Recente (2026) · open access
    SCORE 7.05 Meccanismo Open Access DOI ↗ PubMed ↗
  8. #8
    et al. (2026) · RSC Advances
    Perché è importante: Recente (2026) · open access
    SCORE 6.25 Meccanismo Open Access DOI ↗ PubMed ↗
  9. #9
    et al. (2026) · Membranes
    Perché è importante: Recente (2026) · open access
    SCORE 6.25 Industria Open Access DOI ↗ PubMed ↗
  10. #10
    et al. (2026) · Polymers
    Perché è importante: Recente (2026) · open access
    SCORE 6.25 Meccanismo Open Access DOI ↗ PubMed ↗
  11. #11
    Edirin Awana; Oyeyemi Adeyemi; Olalekan Adeyemi (2026)
    Perché è importante: Recente (2026) · open access
    SCORE 6.25 Industria Open Access DOI ↗
  12. #12
    Zeng Y; Huang Y; Ye S et al. (2026) · Gut microbes
    Perché è importante: Must-cite (canone) · recente (2026)
    SCORE 4 Industria MUST-CITE DOI ↗
  13. #13
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Korean]
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 0 Meccanismo
  14. #14
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Arabic]
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 0 Meccanismo
  15. #15
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Spanish]
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 0 Meccanismo
  16. #16
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Hatian Creole]
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 0 Meccanismo
  17. #17
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [French]
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 0 Meccanismo
  18. #18
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Chinese]
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 0 Meccanismo
  19. #19
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Vietnamese]
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 0 Meccanismo
  20. #20
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5
    Perché è importante: Selezionate tramite punteggio multi-criterio (citations + recency + topic + historical + OA).
    SCORE 0 Meccanismo
📈 Gradiente HPLC — ottimizzatore (LSS) MODELLO

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

  • Colonna: C18
  • Tampone: phosphate
  • Flusso: 1 mL/min
  • logP: 2.9 (PubChem XLogP3)
  • Ramp: 28% → 95% B, 15 min
  • Tempo totale di analisi: 28 min
t (min) %A %B flow (mL/min) Commento
0 72 28 1 avvio (equilibrio)
2 72 28 1 fine mantenimento iniziale
17 5 95 1 fine rampa LSS
22 5 95 1 lavaggio della colonna
23 72 28 1 ritorno a init
28 72 28 1 riequilibrazione
📚 Riferimenti scientifici (Chicago Author-Date)
  1. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
  2. Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
  3. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
  4. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
  5. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
  6. Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
  7. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
  8. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
  9. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
  10. Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.
  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/100-42-5

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

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

📚 Riferimenti (Chicago Author-Date)
  1. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. [link ↗] — Defines USP Tailing Factor T = (a+b)/(2a) measured at 5% peak height.
  2. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. [link ↗] — Tailing factor is a system suitability parameter (Section 6).
  3. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." Analytical Chemistry 55: 730-737 https://doi.org/10.1021/ac00255a033 [link ↗] — Original asymmetry factor As = b/a at 10% height (Foley & Dorsey 1983).
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183 [link ↗] — Chapter 2.4 — peak shape diagnostics and remedies.
  5. Dolan, John W.. 2003. "Peak tailing and resolution." LCGC North America 21: 610-614 [link ↗] — How tailing factor degrades effective resolution.
  6. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 https://doi.org/10.1021/ac101742z [link ↗] — Modern numerical deconvolution for asymmetric peaks.
  7. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH. — Practical Tf and As thresholds for routine QC.
  8. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." Wiley. https://doi.org/10.1002/9781119313793 [link ↗]
  9. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." Wiley.
  10. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." Journal of Chromatography B 877: 2120-2129 https://doi.org/10.1016/j.jchromb.2008.10.052 [link ↗]
  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 ↗]
📊 Calcolatore di risoluzione e numero di piatti (Rs, N, H)

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

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

Related products

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

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

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

Inne produkty z tej kategorii

🧪 Vie di sintesi classiche1 historyczna trasaMolGod_SYNTH_2

Vie di sintesi storicamente verificate. Citazioni in stile Chicago author-date.

Via 1: Wittig olefination from benzaldehyde + methylenetriphenylphosphorane (1954)
Reazione con nome: Wittig reaction
Materiali di partenza: Benzaldehyde; methyltriphenylphosphonium bromide; n-BuLi (base) in THF
Condizioni: -78 C ylide formation; warm to 0 C and add aldehyde; aqueous workup; distillation
Resa: 70.0 %
Wittig, Georg, and Ulrich Schöllkopf. 1954. "Über Triphenyl-phosphin-methylene als olefinbildende Reagenzien." Chemische Berichte 87 (9): 1318-1330.
Bibliografia generale (Chicago):
  • March, Jerry, and Michael B. Smith. 2020. "March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structure." 8th ed. Wiley.
  • Carey, Francis A., and Richard J. Sundberg. 2007. "Advanced Organic Chemistry, Part B: Reactions and Synthesis." 5th ed. Springer.
  • Corey, E. J., and Xue-Min Cheng. 1995. "The Logic of Chemical Synthesis." Wiley.
  • Greene, Theodora W., and Peter G. M. Wuts. 2014. "Greene's Protective Groups in Organic Synthesis." 5th ed. Wiley.
  • Smith, Michael B. 2020. "Organic Synthesis." 4th ed. Academic Press.
  • Carey, Francis A., and Richard J. Sundberg. 2007. "Advanced Organic Chemistry, Part A: Structure and Mechanisms." 5th ed. New York: Springer.
  • Anslyn, Eric V., and Dennis A. Dougherty. 2006. Modern Physical Organic Chemistry. Sausalito, CA: University Science Books.
  • Bretherick, Leslie. 1990. Bretherick's Handbook of Reactive Chemical Hazards. 4th ed. London: Butterworths.
  • Urben, Peter, ed. 2017. Bretherick's Handbook of Reactive Chemical Hazards. 8th ed. Oxford: Butterworth-Heinemann.
  • Yoshida, Tadao, Yusaku Iwata, Hiroshi Itoh, and Mitsuru Arai. 2009. Safe Storage of Reactive Chemicals. New York: Plenum Press.
  • Mortimer, Charles E. 2005. Chemistry: A Conceptual Approach. 9th ed. Belmont, CA: Wadsworth.
  • Engel, Thomas, and Philip Reid. 2013. Physical Chemistry. 3rd ed. Boston: Pearson.
  • Steinfeld, Jeffrey I., Joseph S. Francisco, and William L. Hase. 1998. Chemical Kinetics and Dynamics. 2nd ed. Upper Saddle River, NJ: Prentice Hall.
  • Houston, Paul L. 2001. Chemical Kinetics and Reaction Dynamics. New York: McGraw-Hill.
  • Eyring, Henry. 1935. "The Activated Complex in Chemical Reactions." Journal of Chemical Physics 3 (2): 107–115. https://doi.org/10.1063/1.1749604.
  • Kresge, A. Jerry. 2001. "Reaction kinetics in 100-year-old laboratories." Chemical Society Reviews 30 (4): 197–200. https://doi.org/10.1039/B100445F.
  • Brönsted, J. N. 1929. "Acid and Basic Catalysis." Chemical Reviews 5 (3): 231–338. https://doi.org/10.1021/cr60019a001.
  • Larock, Richard C. 2018. Comprehensive Organic Transformations: A Guide to Functional Group Preparations. 3rd ed. Hoboken, NJ: John Wiley & Sons.
  • Mundy, Bradford P., Michael G. Ellerd, and Frank G. Favaloro Jr. 2005. Name Reactions and Reagents in Organic Synthesis. 2nd ed. Hoboken, NJ: Wiley-Interscience.
  • Li, Jie Jack. 2014. Name Reactions: A Collection of Detailed Mechanisms and Synthetic Applications. 5th ed. Heidelberg: Springer.
  • Kürti, László, and Barbara Czakó. 2005. Strategic Applications of Named Reactions in Organic Synthesis. Burlington, MA: Elsevier Academic Press.
  • Trost, Barry M., and Ian Fleming, eds. 1991. Comprehensive Organic Synthesis: Selectivity, Strategy, and Efficiency in Modern Organic Chemistry. 9 vols. Oxford: Pergamon Press.
  • Ojima, Iwao, ed. 2010. Catalytic Asymmetric Synthesis. 3rd ed. Hoboken, NJ: John Wiley & Sons.
  • Jacobsen, Eric N., Andreas Pfaltz, and Hisashi Yamamoto, eds. 1999. Comprehensive Asymmetric Catalysis. 3 vols. Berlin: Springer.
  • Hartwig, John F. 2010. Organotransition Metal Chemistry: From Bonding to Catalysis. Sausalito, CA: University Science Books.
  • Crabtree, Robert H. 2014. The Organometallic Chemistry of the Transition Metals. 6th ed. Hoboken, NJ: John Wiley & Sons.
  • Negishi, Ei-ichi, ed. 2002. Handbook of Organopalladium Chemistry for Organic Synthesis. 2 vols. New York: Wiley-Interscience.
  • de Meijere, Armin, and François Diederich, eds. 2004. Metal-Catalyzed Cross-Coupling Reactions. 2nd ed. 2 vols. Weinheim: Wiley-VCH.
  • Berkessel, Albrecht, and Harald Gröger. 2005. Asymmetric Organocatalysis: From Biomimetic Concepts to Applications in Asymmetric Synthesis. Weinheim: Wiley-VCH.
  • Dalko, Peter I., ed. 2007. Enantioselective Organocatalysis: Reactions and Experimental Procedures. Weinheim: Wiley-VCH.
  • List, Benjamin, Richard A. Lerner, and Carlos F. Barbas III. 2000. "Proline-catalyzed direct asymmetric aldol reactions." Journal of the American Chemical Society 122 (10): 2395–2396. https://doi.org/10.1021/ja994280y.
  • MacMillan, David W. C. 2008. "The advent and development of organocatalysis." Nature 455 (7211): 304–308. https://doi.org/10.1038/nature07367.
  • Noyori, Ryōji. 2002. "Asymmetric catalysis: science and opportunities (Nobel lecture)." Angewandte Chemie International Edition 41 (12): 2008–2022. https://doi.org/10.1002/1521-3773(20020617)41:12<2008::AID-ANIE2008>3.0.CO;2-4.
  • Sharpless, K. Barry. 2002. "Searching for new reactivity (Nobel lecture)." Angewandte Chemie International Edition 41 (12): 2024–2032. https://doi.org/10.1002/1521-3773(20020617)41:12<2024::AID-ANIE2024>3.0.CO;2-O.
  • Knowles, William S. 2002. "Asymmetric hydrogenations (Nobel lecture)." Angewandte Chemie International Edition 41 (12): 1998–2007. https://doi.org/10.1002/1521-3773(20020617)41:12<1998::AID-ANIE1998>3.0.CO;2-8.
  • Grubbs, Robert H. 2006. "Olefin-metathesis catalysts for the preparation of molecules and materials (Nobel lecture)." Angewandte Chemie International Edition 45 (23): 3760–3765. https://doi.org/10.1002/anie.200600680.
  • Schrock, Richard R. 2006. "Multiple metal-carbon bonds for catalytic metathesis reactions (Nobel lecture)." Angewandte Chemie International Edition 45 (23): 3748–3759. https://doi.org/10.1002/anie.200600085.
  • Suzuki, Akira. 2011. "Cross-coupling reactions of organoboranes: an easy way to construct C-C bonds (Nobel lecture)." Angewandte Chemie International Edition 50 (30): 6722–6737. https://doi.org/10.1002/anie.201101379.
  • Negishi, Ei-ichi. 2011. "Magical power of transition metals: past, present, and future (Nobel lecture)." Angewandte Chemie International Edition 50 (30): 6738–6764. https://doi.org/10.1002/anie.201101380.
  • List, Benjamin, and David W. C. MacMillan. 2022. "Asymmetric organocatalysis (Nobel lecture)." Angewandte Chemie International Edition 61 (38): e202205927. https://doi.org/10.1002/anie.202205927.
  • Bertozzi, Carolyn R., Morten Meldal, and K. Barry Sharpless. 2023. "Click chemistry and bioorthogonal chemistry (Nobel lectures)." Angewandte Chemie International Edition 62 (16): e202300332. https://doi.org/10.1002/anie.202300332.
  • Weissermel, Klaus, and Hans-Jürgen Arpe. 2003. Industrial Organic Chemistry. 4th ed. Weinheim: Wiley-VCH.
  • Wittcoff, Harold A., Bryan G. Reuben, and Jeffrey S. Plotkin. 2013. Industrial Organic Chemicals. 3rd ed. Hoboken, NJ: John Wiley & Sons.
  • Appl, Max. 2006. "Ammonia, 2. Production Processes." In Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. https://doi.org/10.1002/14356007.o02_o11.
  • Thiemann, Michael, Erich Scheibler, and Karl Wilhelm Wiegand. 2000. "Nitric Acid, Nitrous Acid, and Nitrogen Oxides." In Ullmann's Encyclopedia of Industrial Chemistry. Weinheim: Wiley-VCH. https://doi.org/10.1002/14356007.a17_293.
  • Hocking, Martin B. 2005. Handbook of Chemical Technology and Pollution Control. 3rd ed. Burlington, MA: Academic Press.
  • Corey, E. J., and László Kürti. 2010. Enantioselective Chemical Synthesis: Methods, Logic, and Practice. Direct Book Publishing.
  • Nicolaou, K. C., and E. J. Sorensen. 1996. Classics in Total Synthesis: Targets, Strategies, Methods. Weinheim: VCH.
  • Nicolaou, K. C., and Jason S. Chen. 2011. Classics in Total Synthesis III: Further Targets, Strategies, Methods. Weinheim: Wiley-VCH.
  • House, Herbert O. 1972. Modern Synthetic Reactions. 2nd ed. Menlo Park, CA: W. A. Benjamin.
  • Organic Syntheses, Inc. 2024. "Organic Syntheses Collective Volumes 1–10 (1932–2004) and Annual Volumes 1–100 (1922–2024)." Hoboken, NJ: Wiley. https://www.orgsyn.org/.
  • Paquette, Leo A., David Crich, Philip L. Fuchs, Gary A. Molander, and Andre B. Charette, eds. 2009. Encyclopedia of Reagents for Organic Synthesis (e-EROS). 2nd ed. Hoboken, NJ: Wiley. https://onlinelibrary.wiley.com/doi/book/10.1002/047084289X.
Bibliografia estesa — 7 fonti (PubMed/CrossRef/EuropePMC)
  • PUBSeidl S; Patra AP; Li C; Becker-Baldus J; Kaiser S; Reinhart C. 2026. "Detection of an Antagonist Bound to the Neurokinin a Receptor in Styrene-Maleic Acid Lipid Particles by (19)F Ultrafast Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy." Chembiochem : a European journal of chemical biology. https://doi.org/10.1002/cbic.202500963.
  • PUBMaidarjav A; Nyamjav I; Lee E; Jeon S; Kim HR; Cho JH. 2026. "Biotransformation of Acrylonitrile-Butadiene-Styrene Using Brevibacillus nitrificans isolated from Effective Microorganisms." Journal of microbiology and biotechnology. https://doi.org/10.4014/jmb.2601.01046.
  • PUBWang A; Xu J; Sun J; Ma J; Wang L; Liu X. 2026. "Enrichment and Preservation of Urine Metabolites Using Styrene Divinylbenzene Reversed Phase Sulfonate (SDB-RPS) Disks for Enhanced Biomarker Discovery and Disease Monitoring." Journal of proteome research. https://doi.org/10.1021/acs.jproteome.5c00367.
  • PUBZeng Y; Huang Y; Ye S; Lau EYT; Chiu MC; Fenske L. 2026. "Novel bacterium Enterocloster sp. M3 promotes colorectal tumorigenesis via the production of the carcinogen styrene." Gut microbes. https://doi.org/10.1080/19490976.2026.2630481.
  • PUBAdam MSS. 2025. "Synthesis and characterization of Fe(II)- and Cr(II)-complexes with isatin-aryl hydrazone ligand as bio-reactive reagents and effective catalysts for styrene epoxidation." Bioorganic chemistry. https://doi.org/10.1016/j.bioorg.2025.108625.
  • PUBNowacki M; Hoffmann M; Wałęsa-Chorab M. 2025. "Photopolymerization of Styrene-Naphthalenediimide Monomer: Formation of Pattern and Electrochromism." International journal of molecular sciences. https://doi.org/10.3390/ijms26104807.
  • PUBOkorafor EA; Gordon EA; Sahu ID; Shah MZ; Konkolewicz D; Lorigan GA. 2025. "Influence of lipid saturation on the structural properties of styrene maleic acid lipid nanoparticles (SMALPs)." Biochimica et biophysica acta. Biomembranes. https://doi.org/10.1016/j.bbamem.2025.184424.
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📚 RIFERIMENTI (Bibliografia complessiva, Chicago Author-Date) 107 elementi

Tutte le fonti scientifiche citate negli accordion sopra per il CAS 100-42-5.Formato: Chicago Manual of Style 17ª ed., sistema Author-Date.

🗄️ Banche dati scientifiche

  1. NIST. 2026. NIST Chemistry WebBook: CAS 100-42-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=100-42-5. (Accessed 2026-11-12.)
  2. AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 100-42-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
  3. PubChem. 2026. PubChem Compound Summary: CAS 100-42-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=100-42-5. (Accessed 2026-11-12.)
  4. ECHA. 2026. C&L Inventory and REACH Registration: CAS 100-42-5. Helsinki: European Chemicals Agency. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp. (Accessed 2026-11-12.)

📐 Standard / Linee guida

  1. ICH. 2026. "ICH Harmonised Guideline: CAS 100-42-5." Geneva: International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf. (Accessed 2026-11-12.)
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
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📖 Libri

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

📘 Monographs

  1. IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 100-42-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/. (Accessed 2026-11-12.)

📄 Articoli scientifici (peer-reviewed)

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

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