苯乙烯 — 标签 CAS 100-42-5

苯乙烯

IARC第2A组 — 可能对人类致癌
CAS: 100-42-5 | IARC来源

3,99 €

化学品 Styren (CAS 100-42-5)。完整百科卡片 — 分类、性质和安全数据 — 如下。

🔒 演示模式 — 此商品不出售。

合法物质。dhscientific.com 是 MOL-GOD 平台的演示 — 我们不出售任何商品，也不处理订单。被禁止的物质会依据法规基准在此自动拦截（例如可参见七氯）。

免费审核您的安全数据表（SDS） → · 联系我们

MolGod_SDSCARD_1
REACH 2020/878
v2 · 21.07.2026
Category:
🧬 3D分子可视化器
正在加载分子...
3D模型Styrene，CAS 100-42-5，分子式C8H8, 摩尔质量 104.15 g/mol
化学概述: StyreneMolGod_OVERVIEW_1
分子式C8H8
分子量104.15 g/mol
熔点-30.6 °C
密度0.91 g/cm³
LogP（亲脂性）2.9
IUPAC名称styrene
SMILESC=CC1=CC=CC=C1
InChIKeyPPBRXRYQALVLMV-UHFFFAOYSA-N

同义词: STYRENE · Ethenylbenzene · 100-42-5 · Phenylethylene · Vinylbenzene

数据来源： PubChem (NLM/NIH)
最后更新： 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.
完整实验室报告 →
#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.
完整实验室报告 →
#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.
完整实验室报告 →
#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.
完整实验室报告 →
#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.
完整实验室报告 →
#6🎓Faculty of Chemistry📅 2025
Photopolymerization of Styrene-Naphthalenediimide Monomer: Formation of Pattern and Electrochromism
Nowacki M; Hoffmann M; Wałęsa-Chorab M.
完整实验室报告 →

科学研究

[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
查看完整研究 ↗
[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
查看完整研究 ↗
[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
查看完整研究 ↗
📊 物理化学性质

快速参考

化学式： C8H8
分子量： 104.15 g/mol
CAS号： 100-42-5
外观： Colorless to yellowish, oily liquid
气味： Characteristic, sweet, balsamic, almost floral odor that is extremely penetrating
气味： Characteristic, sweet, balsamic, almost floral odor that is extremely penetrating

详细性质

属性 值 单位 条件 来源
密度（ρ） 0.9100 g/cm³ 20 °C (68 °F)
熔点（mp） -30.60 °C (-23.1 °F) decomp.
沸点（bp） 293 to 295 °F at 760 mmHg (NTP, 1992) PubChem (NIH/NLM) ↗
闪点 88 °F (NTP, 1992) PubChem (NIH/NLM) ↗
蒸气压 4.3 mmHg at 59 °F ; 9.5 mmHg at 86 °F; 10 mmHg at 95 °F (NTP, 1992) PubChem (NIH/NLM) ↗
水溶性 less than 1 mg/mL at 66 °F (NTP, 1992) PubChem (NIH/NLM) ↗
黏度（η） 0.696 cP at 25 °C (77 °F) PubChem (NIH/NLM) ↗
折射率（nD） Index of refraction: 1.5440 at 25 °C (77 °F) PubChem (NIH/NLM) ↗
🔬 高级属性

化学标识符

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

数据来源： PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)

最后更新： 2026-06-30

物质监管状态
该物质受监管要求约束： 危险废物管理（BDO登记册）. 详细信息请参见“法规状态（REACH/ECHA/CLP）”章节及安全数据表。 监管信息——不限制在本店购买。
🧮 化学计量计算器MolGod_STOICH_1
🔍 外部标识符MolGod_EXTID_1
13 / 16个ID系统81%
数据库标识符操作
CAS Registry Number100-42-5打开 →
PubChem CID7501打开 →
InChIKeyPPBRXRYQALVLMV-UHFFFAOYSA-N打开 →
InChIInChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
SMILESC=CC1=CC=CC=C1
EC Number202-851-5打开 →
KEGG CompoundC07083打开 →
HMDBHMDB0034240打开 →
ChemSpider7220打开 →
MeSH UID (NLM)D020058打开 →
UNII (FDA)44LJ2U959V打开 →
NSC Number (NCI)62785打开 →
WikiData QIDQ28917打开 →

来源：PubChem (NIH)、Wikidata SPARQL、KEGG、ChEMBL (EBI)、CompTox CTX (EPA)。

📡 光谱学 — CAS 100-42-5MolGod_SPECHUB_MAIN
📊 光谱（NMR、IR、MS、UV-Vis） (1)

可用光谱类型： IR

红外光谱 (KBr, 4000-400 cm⁻¹)

488个数据点 · 来源： NIST WebBook · NIST ↗ · 📥 JCAMP-DX
📋 峰归属表
类型 位置 强度 归属
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 —
🎓 谱图解析指南（供学生使用）
如何解读IR光谱
  • 3200-3600 cm⁻¹ — O-H 伸缩 (宽峰 = 氢键)
  • 2850-3000 cm⁻¹ — C-H 伸缩 (sp³)
  • 1650-1750 cm⁻¹ — C=O 伸缩 (酮、醛、酯)
  • 1400-1600 cm⁻¹ — 芳香环振动
  • 1000-1300 cm⁻¹ — C-O 伸缩 (醚、醇)
  • 无吸收=无官能团→与参考谱图比较

来源： LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 科学参考文献（芝加哥作者-日期格式） (9 来源)

📚 书目参考文献正在生成中。下方提供了精选的通用教科书；CAS特定的Google Books可从管理面板获取。

  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. ↗
📐 理化性质（数据库） 7 字段 MolGod评分：无来源
属性 值 单位 条件 来源
熔点 -30.60 °C decomp.
沸点 rozkłada się — przed wrzeniem (decomp.)
水溶性 0.300 g/L 25°C
密度 (ρ) 0.9100 g/cm³ 20°C
闪点 31.00 °C closed cup
自燃温度 490.00 °C in air
logP (辛醇/水) 2.900 — 25°C
📚 科学参考文献（芝加哥作者-日期格式） (12 来源)
  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. ↗
🔄 浓度单位转换器 实时 MolGod_UNITCONV_1

输入Styrene浓度（任意单位），其余将自动计算。

分子量： 104.15 g/mol · IUPAC Gold Book ↗

⚗️ 转换公式及引用（每个公式）
转换分子式准确度来源
% (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)
📚 参考文献（8个权威来源）
  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
🧪 溶液制备向导 WIZARD MolGod_PREP_1
① 选择浓度
② 目标体积
③ 溶剂

计算依据： IUPAC Gold Book ↗, Merck ↗

溶剂兼容性MolGod_SOLV_1

基于水溶性和logP的估算。指示性数据——不能替代实验研究。

溶剂兼容性备注参考文献
Water- 差logP表明亲脂性
EtOH~ 中等部分溶解性
Acetone~ 中等部分兼容
DCM+ 良好DCM — 适用于非极性化合物
DMSO~ 中等DMSO 可溶解大多数有机化合物
THF+ 良好THF — 溶解度范围广
Hexane+ 良好己烷 — 非极性化合物的理想选择
CHCl3+ 良好CHCl3 — 适用于中等极性和非极性化合物

logP/溶解性的数据来源： logP: 2.90

📚 溶剂的科学参考文献（芝加哥作者-日期格式）——点击展开

每种溶剂均有5个独立的科学来源支持（NIST/CRC/IARC/Hansen/Reichardt/Smallwood/GESTIS）。完整引文如下。

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 ↗]
溶解性理论（应用于相容性预测）：
  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 — HSP三元组（dD, dP, dH）+ Ra公式。
  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.

完整参考文献位于页面底部的参考文献折叠面板——芝加哥格式手册第17版作者-日期格式。

🛡️ 安全 — CAS 100-42-5MolGod_SAFEHUB_MAIN
数据限制说明。 本页安全信息仅供参考，不能替代完整的安全数据表（SDS）。使用产品前，请查阅制造商当前的安全数据表以及GHS/CLP指南。CLP分类适用于纯散装物质，不适用于商业制剂。

GHS/CLP分类——(EC) No 1272/2008法规 + UN GHS Rev. 9 (2021)。

⚠️ 危险 (Danger)
GHS02 — 易燃
GHS02 易燃
GHS07 — 刺激性/有害
GHS07 刺激性/有害
GHS08 — 健康危害
GHS08 健康危害

🚨 危险说明（H）

  • H226 — 易燃液体和蒸气
  • H361d — 怀疑对胎儿造成伤害
  • H332 — 吸入有害
  • H372 — 长期或反复接触会对器官造成伤害(说明已知的所有受影响器官)( 说明接触途径――如已确证无其他接触途径造成这一危害)
  • H315 — 造成皮肤刺激
  • H319 — 造成严重眼刺激

🛡 防范说明（P）

  • P203 — 使用前取得、阅读并遵循所有安全说明书。
  • P261 — 避免吸入粉尘/烟/气体/气雾/蒸气/喷雾。
  • P273 — 避免释放到环境中。

✓ 根据CLP法规(EC) 1272/2008附件VI的统一分类（官方、具有约束力的分类）。 索引号：601-026-00-0。

参考文献（芝加哥格式）： 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 — 组 2A: 可能对人类致癌. (IARC/WHO对致癌性证据的独立评估 — 补充上述CLP分类。)
参考文献（芝加哥格式）： 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.)
来自本地MOL-GOD列表（快照）的分类 — 未与当前IARC列表核实。 验证

翻译：CLP 法规 (EC) 1272/2008，附件 III 和 IV。数据：PubChem/NLM。

📚 综合科学参考文献 — Chicago Author-Date 10 来源

从所有Safety Hub选项卡收集的参考文献。CAS号： 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，法规
  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

具有自身参考文献的选项卡（紧急情况、个人防护装备、储存、废物）在其各自章节中包含额外的书目条目。

📈 分析统计（t检验·RSD·Grubbs·Q-Dixon） ICH Q2

粘贴一系列重复测量结果（CSV或每行一个数字）。计算器将计算平均值、标准差和95%置信区间，并检测异常值（Grubbs + Dixon Q）。

分隔符：逗号、空格、制表符、换行。至少3个测量值。
📐 统计公式
  • x̄ = Σxᵢ / n — 算术平均值
  • s² = Σ(xᵢ - x̄)² / (n-1) — 样本方差
  • s = √s² — 标准差
  • RSD% = (s / x̄) × 100% — 相对标准差
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs检验
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

来源：ICH Q2(R2) 分析方法验证 · ICH PDF ↗

🧪 缓冲液配方计算器 唯一
参考文献： pKa值来自 Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

从 20 种常用缓冲体系列表中选择 → 输入目标 pH → 获得精确配方，包括称量质量。

步骤 1：选择缓冲体系

📜 配方历史记录（最近 10 条）
🔬 HPLC/GC方法 (2 方法)
📄
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)
色谱柱： C18, 5 μm
相： mobile phase was used, comprising 87% water (eluent A) and 13% acetonitrile…
检测： MS
流速： 0.50 mL/min
温度： 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)
色谱柱： C18, 5 μm
相： mobile phase comprising acetonitrile and 0
检测： UV 278 nm
流速： 1.50 mL/min
温度： 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
📈 方法验证（ICH Q2）

无验证数据。请联系方法作者。

参数依据： ICH Q2(R2) ↗

📋 方法比较
技术 色谱柱 分析时间 检测 流动相 来源
HPLC C18 — MS mobile phase was used, comprising 87% water (eluent… DOI ↗
HPLC C18 — UV 278 nm mobile phase comprising acetonitrile and 0 DOI ↗
🔧 HPLC/GC故障排除
宽峰 / 拖尾
原因： 色谱柱磨损、流动相pH值不当、色谱柱过载、死体积
解决方案： 更换色谱柱，检查缓冲液pH值（±0.2），减少进样体积，检查接头
基线漂移
原因： 流动相污染、梯度问题、温度不稳定
解决方案： 对流动相脱气，0.22 µm过滤，稳定色谱柱温度，冲洗系统
无峰
原因： 波长错误，分析物未洗脱，热分解，相错误
解决方案： 检查λmax，延长梯度，降低温度，更换流动相
鬼峰
原因： 系统污染、残留、样品瓶污染
解决方案： 清洗系统（甲醇/水），使用新小瓶，进样空白
回收率低
原因： 吸附到壁上、提取不足、分解
解决方案： 添加内标，硅烷化玻璃器皿，优化萃取，检查稳定性

来源： Snyder, Kirkland & Dolan ↗, Waters ↗

📊 HPLC方法验证（ICH Q2(R1)） PARTIAL

3 metrics need experimental data

参数 值 单位 ICH Q2标准 Status
线性（R²） 无数据 unitless R² ≥ 0.999（生物分析中≥0.99） —
LOD (S/N = 3:1) 无数据 ng/mL 信噪比≥3:1（最低可检测浓度） —
LOQ (S/N = 10:1) 无数据 ng/mL 信噪比≥10:1（定量限通常≥3倍检出限） —
精密度（日内RSD，n=6） 无数据 % RSD 原料药RSD ≤ 2%（日内）/ ≤ 3%（日间） —
准确度（回收率，3个水平） 无数据 % (target 100±2%) Recovery 98-102% (target 100%) —
线性范围 无数据 例如0.1-100 ng/mL 至少为标称浓度的80-120% —
选择性/专属性 无数据 qualitative 无干扰——分析物峰完全分离（Rs ≥ 2.0） —
耐用性 无数据 ±5%变化时RSD < 2% 参数微小变化时 RSD < 2% —
图例： ✓ PASS ⚠ CAUTION ✗ FAIL — NO_DATA
📚 科学参考文献（芝加哥作者-日期格式）——点击展开

分析方法验证标准——4个独立来源（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.

· ⚠ SVHC/REACH法规警告 ↑

🔧 HPLC故障排除——决策树 6 常见问题

12种最常见HPLC问题的诊断及决策树（每个问题5个步骤）。 来源： Snyder/Kirkland/Dolan 3rd ed. Chapter 17 + LCGC LC Troubleshooting columns 1989-2024.

宽峰 medium

症状： 色谱图上所有峰都比预期宽（半峰宽 > 2倍正常值）

🔍 诊断树：
  1. 1. 检查是所有峰变宽还是只有部分峰
    → 是： 所有峰→仪器问题（色谱柱或系统）
    → 否： 仅部分峰→化学问题（特定分析物与色谱柱的相互作用）
  2. 2. 更换测试柱——问题是否消失？
    → 是： 色谱柱已耗尽——填料损坏，前几毫米有空隙。更换。
    → 否： 液相色谱系统问题
  3. 3. 检查死体积——进样环、连接件、检测器
    → 是： 对于4.6 mm色谱柱，进样环 > 100 µL或连接松动→更换卡套，缩短管路
    → 否： 继续诊断
  4. 4. 温度测试：将色谱柱从25°C升至40°C
    → 是： 峰变窄→传质动力学过慢（升高温度）
    → 否： Continue
  5. 5. 检查流速与该色谱柱的最佳范德姆特值
    → 是： 4.6mm/5µm的最佳流速为1.0 mL/min，2.1mm/3µm的最佳流速为0.4 mL/min
    → 否： Continue
⚠️ 常见原因：
  • 色谱柱已耗尽（无保护柱时超过2000次进样）
  • 系统死体积 > 100 µL（错误的进样环、长管路、卡套松动）
  • 温度过低（传质动力学）
  • 流速超出范德姆特最佳值
  • 样品溶剂比流动相A更强
✓ 修复方法：
  • ✓ 更换色谱柱（当>2000次进样时）
  • ✓ 检查所有连接——管路尽可能短
  • ✓ 将色谱柱温度升至40°C（如果物质稳定）
  • ✓ 将流速降至van Deemter最佳值
  • ✓ 将样品溶解在流动相A中（而非纯有机相）
峰拖尾（拖尾因子T > 1.5） high

症状： 峰在晚洗脱侧有延伸的“拖尾”（根据USP，不对称度T = b/a > 1.5）

🔍 诊断树：
  1. 1. 物质是否含有碱性基团（氨基、吡啶）？
    → 是： 是 → 硅醇相互作用！向流动相A中添加0.1% TFA或5-10 mM TEA。
    → 否： Continue
  2. 2. 检查流动相pH与物质pKa的关系
    → 是： pH = pKa ± 1 → 部分电离，峰分裂。使pH远离pKa ≥ 2个单位。
    → 否： Continue
  3. 3. 检查色谱柱使用时间（>1500次进样？）
    → 是： 是 → 硅醇暴露（柱流失）。更换为具有更高封端度的色谱柱（XTerra、Symmetry）。
    → 否： Continue
  4. 4. 样品是否含有金属（来自玻璃小瓶的Fe、Cu）？
    → 是： 是 → 使用II型无色小瓶或PFA小瓶。向样品中添加0.1mM EDTA。
    → 否： Continue
⚠️ 常见原因：
  • 硅醇相互作用（碱性分析物 + 硅胶游离硅醇）
  • pH处于分析物pKa边界（峰分裂）
  • 旧色谱柱（柱流失，高硅醇活性）
  • 样品中的金属（螯合 → 拖尾）
  • 色谱柱过载（4.6mm色谱柱上>50 µg）
✓ 修复方法：
  • ✓ 向流动相A中加入0.1% TFA（UV）或0.1%甲酸（LC-MS）
  • ✓ 选择高纯度封端的色谱柱：Waters XBridge BEH、Phenomenex Kinetex
  • ✓ 在pH值距离pKa ≥ 2个单位的条件下操作
  • ✓ 向样品中加入0.1mM EDTA（螯合Fe/Cu）
  • ✓ 对于4.6 mm色谱柱，将进样体积减少至≤ 20 µL
基线漂移 medium

症状： 基线在>5分钟内系统性上升或下降

🔍 诊断树：
  1. 1. 是否使用梯度（B%增加）？
    → 是： 是 → 流动相A与B在检测波长下吸收不同。溶剂更换导致UV截止波长变化。检查有机相UV吸光度百分比。
    → 否： 继续（等度）
  2. 2. 检查色谱柱温度——是否稳定在±0.5°C？
    → 是： 是（稳定）→ 继续
    → 否： 不稳定 → 开启柱温箱（>25°C受控）
  3. 3. 测试：关闭自动进样器，仅运行泵+色谱柱+检测器
    → 是： 漂移消失 → 自动进样器污染（清洁针头、隔垫）
    → 否： Continue
  4. 4. 检查灯的使用时间（UV用D2灯）
    → 是： 是（>1500小时）→ 更换灯
    → 否： Continue
⚠️ 常见原因：
  • 梯度洗脱，流动相UV截止值不同
  • 色谱柱温度不稳定
  • 自动进样器针头/隔垫污染
  • UV灯老化（>1500h）
  • 检测器流通池污染
  • 色谱柱未平衡（<10个柱体积）
✓ 修复方法：
  • ✓ 用100% A预平衡色谱柱10-15个柱体积
  • ✓ 开启色谱柱恒温箱，温度30-40°C稳定
  • ✓ 用50:50乙腈-水溶液清洗检测器流通池
  • ✓ 如果D2灯使用时间>1500小时，请更换
  • ✓ 使用基线扣除（Chromeleon、Empower原生功能）
无峰/丢失峰 critical

症状： 预期分析物峰未出现在色谱图上

🔍 诊断树：
  1. 1. 进样是否实际发生？
    → 是： 检查自动进样器日志、泵压力（进样时应下降）
    → 否： 自动进样器问题→检查定量环、进样针、样品瓶中的样品
  2. 2. 样品是否在样品瓶中（体积正确，未蒸发）？
    → 是： Continue
    → 否： 无样品——重新移液
  3. 3. 样品稳定性——制备时间是否超过24小时？
    → 是： 是→降解。重新制备新鲜样品。
    → 否： Continue
  4. 4. 检查检测波长与物质的λmax是否匹配
    → 是： 检测波长与λmax不匹配→无信号。扫描DAD 200-400nm。
    → 否： Continue
  5. 5. 测试：进样纯标准品（已知浓度，新鲜）
    → 是： 标准品出峰→样品问题（基质、衍生化）
    → 否： 标准品也无峰→系统问题（色谱柱、流动相、梯度）
⚠️ 常见原因：
  • 样品未从样品瓶中抽取（自动进样器故障）
  • 样品降解（超过24小时，pH/温度/光照）
  • 检测波长错误
  • 流动相错误（例如忘记加TFA）
  • 色谱柱接反/固定相错误
  • 物质在死时间（V0）洗脱→无保留，不可见
✓ 修复方法：
  • ✓ 严格按照协议重新制备新鲜样品
  • ✓ 紫外-可见DAD扫描200-400nm并搜索λmax
  • ✓ 检查流动相组成——是否添加了TFA？
  • ✓ 测试色谱柱反向（小心！）
  • ✓ 对于保留时间<1分钟——降低B比例，用甲醇代替乙腈
  • ✓ 检查wp_molgod_hplc_methods中的“expected_rt”表
压力过高 critical

症状： 泵压力>色谱柱最大压力的80%或系统因高压错误停机

🔍 诊断树：
  1. 1. 检查色谱柱是否连接正确（箭头方向）
    → 是： OK
    → 否： 色谱柱接反→将其翻转（切勿反向安装运行）
  2. 2. 测试：从系统中移除色谱柱，仅运行泵+检测器
    → 是： 压力降至 <50 bar → 色谱柱问题（堵塞）
    → 否： 压力保持高位 → 在线过滤器堵塞，烧结滤片污染
  3. 3. 检查预柱过滤器（在线烧结滤片）
    → 是： 污染且变棕色 → 更换
    → 否： Continue
  4. 4. 用 50:50 ACN:H2O 反向冲洗（不带色谱柱）——问题消失？
    → 是： 颗粒卡在第一毫米处——冲洗 30 分钟可能恢复
    → 否： 更换色谱柱
⚠️ 常见原因：
  • 在线过滤器（烧结滤片）被颗粒堵塞
  • 缓冲盐析（高 %B 时沉淀）
  • 样品含有悬浮物（进样前用 0.22 µm 过滤）
  • 色谱柱堵塞（柱床压实）
  • 梯度含缓冲液相 + 高有机相 → 盐沉淀
✓ 修复方法：
  • ✓ 进样前务必用0.22 µm PVDF过滤样品
  • ✓ 每100次进样（或压力升高>20%时）更换在线过滤器
  • ✓ 不要使用>20mM磷酸盐缓冲液+>70%乙腈（盐会析出）
  • ✓ 用50:50乙腈:水反向冲洗色谱柱30分钟（如果制造商允许）
  • ✓ 使用4×3mm预柱保护主色谱柱
鬼峰 high

症状： 色谱图上校准中不存在的无法解释的峰

🔍 诊断树：
  1. 1. 测试：空白进样（纯样品溶剂）
    → 是： 出现鬼峰 → 系统或洗脱液污染
    → 否： 仅与样品一起出现 → 基质
  2. 2. 鬼峰是否随梯度增大（在高 %B 下洗脱）？
    → 是： 是 → 色谱柱过载或前一次运行中的强保留物质
    → 否： 与梯度无关 → 自动进样器残留
  3. 3. Increase carryover wash (between injections)
    → 是： 有帮助 → 残留是原因。使用更强的清洗程序。
    → 否： Continue
  4. 4. 纯水进样——是否有峰？
    → 是： 是 → 水源污染（来自 DI 系统的有机物）
    → 否： Continue
⚠️ 常见原因：
  • 自动进样器针/定量环中的残留
  • 洗脱液污染（即使是 HPLC 级）
  • 前一次运行中的强保留组分
  • 样品瓶中的塑料（邻苯二甲酸酯、来自瓶盖的 PEG）
  • 纯化不充分的去离子水
✓ 修复方法：
  • ✓ 加强清洗程序：100% B → 100% A → 50:50（3个循环）
  • ✓ 校准前进行强清洗：100% DMSO或100%甲醇
  • ✓ 如有疑问，用0.22 µm PTFE过滤洗脱液
  • ✓ 使用琥珀色玻璃瓶和聚四氟乙烯内衬盖盛装样品
  • ✓ 定期进行梯度升至100% B并持续10分钟（清洗）
📚 科学参考文献（芝加哥作者-日期格式）——点击展开
  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 ↗]
🧪 溶解性和溶剂兼容性 MolGod_SOLUB_1
分子
Styrene
分子式
C8H8
logP
2.90
摩尔质量（g/mol）
104.15
极性
疏水性（非极性）

⚠️ GC估算（Hoftyzer-Van Krevelen）。该CAS无文献HSP数据——精度±2 MPa½。请实验验证。

溶剂 兼容性 Ra 可视化 GC-MS HPLC 应用 参考文献
Water (H₂O)− 差45.8
✗ NieA (aqueous) (RP)
缓冲液细胞培养分析级亲水萃取
Ethanol (EtOH)− 差22.6
✗ NieA/B modifier (RP/NP)
萃取光谱学（UV-Vis）合成HPLC改性剂
Methanol (MeOH)− 差26.2
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone− 差14.4
✗ NieB modifier (NP)
GC headspace结晶脱脂合成
Acetonitrile (ACN)− 差20.1
✗ NieB (RP) (RP)
HPLC洗脱液（黄金标准）LC-MS (wolny cut-off UV 190 nm)肽分析
DMSO− 差23.2
✗ NieN/A (N/A)
NMR (d6-DMSO)细胞生物学（低温保存）药物递送合成
THF− 差13.7
✗ NieB (NP) (NP)
GPC/SEC（聚合物分析）格氏合成有机金属
DCM (CH₂Cl₂)− 差15.2
✓ TakB (NP) (NP)
萃取NP-HPLCGC-MS结晶（反溶剂法）
Chloroform (CHCl₃)− 差13.3
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)脂质提取（Folch法）NP-TLC
Hexane+ 良好5.8
✓ TakA (NP) (NP)
NP-HPLC油脂提取（脂质）GC-MSTLC (NP)
Toluene− 差12.2
✓ TakB (NP) (NP)
NMR (d8-toluene)合成Dean-Stark共沸干燥
📚 溶剂科学参考文献（芝加哥作者-日期格式）——点击展开

11种溶剂 × 5个独立科学来源（NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS）。下方55+完整引用。

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
溶解性理论（应用于相容性预测）：
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP三元组（dD, dP, dH）+ Ra公式。
  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 — 250+溶剂的完整表格数据集（ε、μ、供体数、受体数）。
  8. PubChem Compound Database — CAS 100-42-5 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

完整参考文献位于页面底部的参考文献折叠面板——芝加哥格式手册第17版作者-日期格式。

📚 技术FAQ — 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.
有帮助吗？
❓ 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.
有帮助吗？
❓ 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.
有帮助吗？
❓ 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.
有帮助吗？
❓ 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.
有帮助吗？
🧮 实验室计算器（8个） MolGod_LABCALC_1
稀释（C₁V₁=C₂V₂）
摩尔浓度（M=n/V）
pH缓冲液（Henderson-Hasselbalch）
Beer-Lambert（A=εcl）
质量→摩尔
浓度%→M
ppm→mg/L
温度 C↔F↔K

已验证的配方： IUPAC Gold Book ↗, DOI ↗

📊 光谱数据库 MolGod_SPECDB_3
📋 实验室方案生成器 MolGod_PROTOCOL_1

方案基于以下内容生成： GHS SDS, Aldrich Lab Guide ↗

🏷️ 标签生成器（QR码） MolGod_LABEL_1
苯乙烯• STYRENE / Ethenylbenzene• CAS: 100-42-5• 分子式: C8H8• 摩尔质量: 104.15 g/mol危险GHS危险说明：H226: 易燃液体和蒸气H332: 吸入有害H315: 造成皮肤刺激H319: 造成严重眼刺激DH ScientificScience first. Commerce as consequence.批号: 净含量: 生产日期:
ADMET — ADMET 性质
正在加载ADMET预测…
🧪 溶液配制助手（Smart Prep） MolGod_PREP_2

输入您要制备的内容——我将生成SOP

示例如下——点击插入：
预设配方：
📚 科学文献概览 — CAS 100-42-5MolGod_LITHUB_MAIN
⭐ 关键发现（科学文献） 20 出版物
🏆 CAS 100-42-5 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.
  1. #1
    Schloemann, M., Eulberg, D., Kaschabek, S.R. et al. (2009) · Journal of Bacteriology
    重要性： 123次引用 · open access
    SCORE 9.33 药理学 引用次数： 123 Open Access DOI ↗
  2. #2
    Chunxu Zhao, Xiaohan Chen, Xian Chen (2022) · Polymers
    重要性： Open access
    SCORE 7.95 机制 引用次数： 4 Open Access DOI ↗
  3. #3
    Groning, J.A.D., Michael Schlömann, Kaschabek, S.R. et al. (2010) · American Society for Microbiology
    重要性： Open access
    SCORE 7.89 机制 引用次数： 75 Open Access DOI ↗
  4. #4
    et al. (2026) · ACS Omega
    重要性： 近期（2026） · open access
    SCORE 7.85 工业 Open Access DOI ↗ PubMed ↗
  5. #5
    et al. (2026) · Polymers
    重要性： 近期（2026） · open access
    SCORE 7.85 机制 Open Access DOI ↗ PubMed ↗
  6. #6
    Tianxi Li; Chaolun Pan; Dongmei Yue (2026) · Polymers
    重要性： 近期（2026） · open access
    SCORE 7.05 工业 Open Access DOI ↗ PubMed ↗
  7. #7
    Yanqing Cui; Qianhong Diao; Xian Liang (2026) · Materials
    重要性： 近期（2026） · open access
    SCORE 7.05 机制 Open Access DOI ↗ PubMed ↗
  8. #8
    et al. (2026) · RSC Advances
    重要性： 近期（2026） · open access
    SCORE 6.25 机制 Open Access DOI ↗ PubMed ↗
  9. #9
    et al. (2026) · Membranes
    重要性： 近期（2026） · open access
    SCORE 6.25 工业 Open Access DOI ↗ PubMed ↗
  10. #10
    et al. (2026) · Polymers
    重要性： 近期（2026） · open access
    SCORE 6.25 机制 Open Access DOI ↗ PubMed ↗
  11. #11
    Edirin Awana; Oyeyemi Adeyemi; Olalekan Adeyemi (2026)
    重要性： 近期（2026） · open access
    SCORE 6.25 工业 Open Access DOI ↗
  12. #12
    Zeng Y; Huang Y; Ye S et al. (2026) · Gut microbes
    重要性： 必引文献（经典） · 近期（2026）
    SCORE 4 工业 MUST-CITE DOI ↗
  13. #13
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Korean]
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 0 机制
  14. #14
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Arabic]
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 0 机制
  15. #15
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Spanish]
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 0 机制
  16. #16
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Hatian Creole]
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 0 机制
  17. #17
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [French]
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 0 机制
  18. #18
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Chinese]
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 0 机制
  19. #19
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5 [Vietnamese]
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 0 机制
  20. #20
    Styrene - ToxFAQs\u2122 : CAS#: 100-42-5
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 0 机制
📈 HPLC梯度——优化器（LSS） 模板

基于PubChem XLogP3 + LSS（Snyder等人，2010，第9章）的梯度。

  • 色谱柱: C18
  • 缓冲液: phosphate
  • 流速: 1 mL/min
  • logP: 2.9 (PubChem XLogP3)
  • 斜率: 28% → 95% B, 15 min
  • 总分析时间: 28 min
t (min) %A %B flow (mL/min) 备注
0 72 28 1 开始（平衡）
2 72 28 1 初始保持结束
17 5 95 1 LSS 梯度结束
22 5 95 1 色谱柱清洗
23 72 28 1 返回初始条件
28 72 28 1 再平衡
📚 科学参考文献（芝加哥作者-日期格式）
  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

📐 HPLC峰对称性计算器（USP Tf / As）

根据峰半宽计算USP拖尾因子（Tf）和不对称度（As）。输入在峰高5%或10%处测量的a（左半宽）和b（右半宽）。

📚 参考文献（芝加哥作者-日期格式）
  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 ↗]
📊 分辨率和塔板数计算器（Rs, N, H）

计算一对HPLC峰的分辨率Rs、理论塔板数N和HETP（H）。输入保留时间、峰宽（在50%或基线处）和色谱柱长度。

📚 参考文献（芝加哥作者-日期格式）
  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

🧪 系统适用性——实时计算器（USP <621>）

输入5-6次进样的数据（峰面积、保留时间、拖尾因子、塔板数）——计算器将计算%RSD和平均值，并检查是否符合USP <621>。您可以粘贴CSV（逗号分隔）或编辑单个值。

📚 参考文献（芝加哥作者-日期格式）
  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

🧪 经典合成路线1 条历史路线MolGod_SYNTH_2

经历史验证的合成路线。引用采用芝加哥作者-日期格式。

路线 1：Wittig olefination from benzaldehyde + methylenetriphenylphosphorane (1954)
命名反应： Wittig reaction
底物： Benzaldehyde; methyltriphenylphosphonium bromide; n-BuLi (base) in THF
条件： -78 C ylide formation; warm to 0 C and add aldehyde; aqueous workup; distillation
产率： 70.0 %
Wittig, Georg, and Ulrich Schöllkopf. 1954. "Über Triphenyl-phosphin-methylene als olefinbildende Reagenzien." Chemische Berichte 87 (9): 1318-1330.
通用参考文献（芝加哥格式）：
  • 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.
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  • 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.
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  • 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.
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扩展参考文献——7个来源（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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📚 参考文献（综合书目，芝加哥作者-日期格式） 107 条目

以上折叠面板中针对CAS号100-42-5引用的所有科学来源。格式： 《芝加哥格式手册》第17版，作者-日期系统.

🗄️ 科学数据库

  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.)

📐 标准/指南

  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.
  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.

📖 书籍

  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.

📘 专著

  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.)

📄 科学文章（同行评审）

  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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  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
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