乙醇 — 标签 CAS 64-17-5

乙醇

IARC第1组 — 对人类致癌的物质
CAS: 64-17-5 | IARC来源
Klasyfikacja IARC dotyczy kontekstu: Ethanol in alcoholic beverages (nie samej czystej substancji)

1,99 €

化学品 Etanol (CAS 64-17-5)。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
v5 · 31.07.2026
Kategoria:
🧬 3D分子可视化器
正在加载分子...
3D模型Etanol，CAS 64-17-5，分子式C2H6O, 摩尔质量 46.07 g/mol

数据转录自法规登记册和专业文献，并注明来源与版本。不能替代供应商的安全数据表。未记录来源的字段已作相应标注。

化学概述: EtanolMolGod_OVERVIEW_1
分子式C2H6O[1]
分子量46.07 g/mol[1]
熔点-114.14 °C[1][2][3]
沸点78.29 °C (760 mmHg)[1][2][3]
密度0.7893 g/cm³[1][2][3]
LogP（亲脂性）-0.31[1]
pKa15.9
IUPAC名称ethanol[1]
SMILESCCO[1]
InChIKeyLFQSCWFLJHTTHZ-UHFFFAOYSA-N[1]

同义词: Alcohol · Ethyl alcohol

数据来源： PubChem (NLM/NIH), Yaws Handbook 2nd ed. (2014)
最后更新： 2026-08-05

📚 科学参考文献（芝加哥作者-日期格式） (3 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 分子式 · 分子量 · 熔点 · 沸点 · 密度 · LogP（亲脂性） · IUPAC名称 · SMILES · InChIKey
  2. DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ applies to: 熔点 · 沸点 · 密度
  3. Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. applies to: 熔点 · 沸点 · 密度

🎓 Badania akademickie: Etanol

#1🎓The University of Chicago📅 2026
Genetic vitamin B6 deficiency exacerbates alcohol behavioral responses, metabolism, and toxicity in Drosophila
Wang B; Fu W; Ueda A; Shah H; Wu CF; Chi W.
完整实验室报告 →
📊 物理化学性质

快速参考

化学式： C2H6O
分子量： 46.07 g/mol
CAS号： 64-17-5
外观： 清澈、无色、高流动性液体
气味： 令人愉快

详细性质

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

属性 值 单位 条件 来源
折射率（nD） 1.3614[1][2] 20 °C, D-line Yaws Handbook 2nd ed. (2014)
🔬 高级属性

化学标识符

SMILES: CCO

数据来源： Yaws Handbook 2nd ed. (2014)

最后更新： 2026-06-30

📚 科学参考文献（芝加哥作者-日期格式） (2 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 折射率（nD）
  2. Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. applies to: 折射率（nD）
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）; 危险货物运输（ADR/RID/IMDG）. 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
15 / 16个ID系统94%
数据库标识符操作
CAS Registry Number64-17-5打开 →
PubChem CID702[1]打开 →
InChIKeyLFQSCWFLJHTTHZ-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3[1]
SMILESCCO[1]
EC Number200-578-6[2]打开 →
DrugBankDB00898打开 →
KEGG CompoundD00068打开 →
HMDBHMDB0000108打开 →
ChemSpider682[3]打开 →
CompTox DTXSID (EPA)DTXSID9020584[4]打开 →
MeSH UID (NLM)D000431打开 →
UNII (FDA)3K9958V90M打开 →
NSC Number (NCI)85228打开 →
WikiData QIDQ153打开 →

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

📚 科学参考文献（芝加哥作者-日期格式） (4 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ applies to: ChemSpider
  4. U.S. EPA. CompTox Chemicals Dashboard — ToxCast/Tox21 high-throughput screening bioactivity summary (testing coverage, not a hazard finding). Washington, DC: U.S. Environmental Protection Agency. ↗ applies to: CompTox DTXSID (EPA)
📡 光谱学 — CAS 64-17-5MolGod_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)

440个数据点 · 来源： NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 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） (7 来源)
  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） 23 字段 MolGod评分：主要
属性 值 单位 条件 来源
熔点 -114.14 [1][2][3] °C 1 atm Yaws Handbook 2nd ed. (2014)
沸点 78.29 [1][2][3] °C 760 mmHg Yaws Handbook 2nd ed. (2014)
水溶性 miscible [1] — opis jakościowy (bez wartości liczbowej) Yaws Handbook 2nd ed. (2014)
密度 (ρ) 0.7893 [1][2][3] g/cm³ 20°C Yaws Handbook 2nd ed. (2014)
折射率 (n_D) 1.3614 [1][3] — 20°C, sodium D Yaws Handbook 2nd ed. (2014)
黏度 (η) 1.074 [1] cP 25°C Yaws Handbook 2nd ed. (2014)
蒸气压 59.3 [1][2] mmHg 25°C Yaws Handbook 2nd ed. (2014)
闪点 13 [2][3] °C closed cup No primary source
自燃温度 363 °C in air No primary source
pKa₁ 15.9 — No primary source
logP (辛醇/水) -0.31 [4] — No primary source
logD (pH 7) -0.31 [1] — pH 7 Yaws Handbook 2nd ed. (2014)
介电常数 (ε) 24.3 [1] — Yaws Handbook 2nd ed. (2014)
表面张力 22.1 [1] mN/m Yaws Handbook 2nd ed. (2014)
比热容 (cp) 2.44 [1] J/(g·K) Yaws Handbook 2nd ed. (2014)
热导率 (k) 0.169 [1] W/(m·K) Yaws Handbook 2nd ed. (2014)
偶极矩 (μ) 1.69 [1] D Yaws Handbook 2nd ed. (2014)
ΔH 汽化 38.6 [1] kJ/mol Yaws Handbook 2nd ed. (2014)
ΔH 熔化 4.9 [1] kJ/mol at mp Yaws Handbook 2nd ed. (2014)
临界温度 (Tc) 240.8 [1] °C critical point Yaws Handbook 2nd ed. (2014)
临界压力 (Pc) 61.4 [1] bar critical point Yaws Handbook 2nd ed. (2014)
偏心因子 (ω) 0.644 [1] — Pitzer Yaws Handbook 2nd ed. (2014)
乙醇溶解度 miscible [1] — opis jakościowy (bez wartości liczbowej) Yaws Handbook 2nd ed. (2014)
📚 科学参考文献（芝加哥作者-日期格式） (4 来源)
  1. Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. applies to: 熔点 · 沸点 · 水溶性 · 密度 (ρ) · 折射率 (n_D) · 黏度 (η) · 蒸气压 · logD (pH 7) · 介电常数 (ε) · 表面张力 · 比热容 (cp) · 热导率 (k) · 偶极矩 (μ) · ΔH 汽化 · ΔH 熔化 · 临界温度 (Tc) · 临界压力 (Pc) · 偏心因子 (ω) · 乙醇溶解度
  2. DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ applies to: 熔点 · 沸点 · 密度 (ρ) · 蒸气压 · 闪点
  3. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 熔点 · 沸点 · 密度 (ρ) · 折射率 (n_D) · 闪点
  4. Sangster, J. "Octanol-Water Partition Coefficients of Simple Organic Compounds." Journal of Physical and Chemical Reference Data 18, no. 3 (1989): 1111-1229. ↗ applies to: logP (辛醇/水)

物理化学值来源于上述独立、同行评审的来源。

🔄 浓度单位转换器 实时 MolGod_UNITCONV_1

输入Etanol浓度（任意单位），其余将自动计算。

分子量： 46.07 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 ↗

🔬 纯度检查指南 质量控制

使用标准化分析方法验证试剂纯度。选择下方的测试方法并输入您的测量结果，系统将自动计算。

🛡️ 安全 — CAS 64-17-5MolGod_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

🚨 危险说明（H）

  • H225 — 高度易燃液体和蒸气

🛡 防范说明（P）

  • P210 — 远离热源、热表面、火花、明火和其他点火源。禁止吸烟。
  • P233 — 保持容器密闭。
  • P240 — 货箱和装载设备接地并等势联接。
  • P280 — 戴防护手套/穿防护服/戴防护眼罩/戴防护面具/戴听力保护装置……
  • P303+P361+P353 — 如皮肤(或头发)沾染：: 立即脱掉所有沾染的衣服。; 用水清洗患处【或淋浴】
  • P370+P378 — 如起火：: 使用……灭火。
  • P403+P235 — 存放于通风良好处。: 保持低温。
  • P501 — 处置内装物/容器……

✓ 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：603-002-00-5。

参考文献（芝加哥格式）： European Chemicals Agency. "ethanol; ethyl alcohol, Index No. 603-002-00-5." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

⚠ IARC — 组 1: 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. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 64-17-5. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

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： 64-17-5 · 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）
🚚 运输分类（ADR / IATA / IMDG） UN 1170
UN编号
UN 1170
Ethanol or ethanol solution
Flammable
来源: ADR 2025 Tabela A (adr_dangerous_goods.json)

🛣️ ADR 公路运输

类别:
3
包装组:
II
运输名称:
Ethanol or ethanol solution
隧道代码:
(D/E)
Limited Quantity (L):
1

✈️ IATA 航空运输

类别:
3
包装说明:
353 / 364
最大数量（PAX）:
5 L
最大数量 (CAO):
60 L

🚢 IMDG 海运

类别:
3
EmS Code:
F-E, S-D

来源： ADR 2025 ↗ · IATA DGR ↗ · IMDG Code ↗

📊 HPLC方法验证（ICH Q2(R1)） PARTIAL

3 of 3 critical 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

6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
  • ✓ 在插件方法库中检查预期保留时间
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).
🧪 溶解性和溶剂兼容性 MolGod_SOLUB_1
分子
Etanol
分子式
C2H6O
logP (XLogP3)
-0.31
摩尔质量（g/mol）
46.07
极性
亲水性（极性）

⚠️ HSP估算（文献/基团贡献法）。指示性数据——不能替代实验研究。

Ra < R₀ = dobra mieszalność · Ra < 1,5×R₀ = graniczna · powyżej = słaba (R₀ — promień sfery Hansena tej molekuły) Dla tej molekuły R₀ = 7,5.

溶剂 兼容性 Ra 可视化 GC-MS HPLC 应用 参考文献
Water (H₂O)miesza się24.0
✗ NieA (aqueous) (RP)
缓冲液细胞培养分析级亲水萃取
Ethanol (EtOH)+ 良好0.0
✗ NieA/B modifier (RP/NP)
萃取光谱学（UV-Vis）合成HPLC改性剂
Methanol (MeOH)+ 良好4.8
✗ NieA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent do 205 nm
Acetone− 差12.5
✗ NieB modifier (NP)
GC headspace结晶脱脂合成
Acetonitrile (ACN)− 差16.2
✗ NieB (RP) (RP)
HPLC洗脱液（黄金标准）LC-MS (wolny cut-off UV 190 nm)肽分析
DMSO− 差13.0
✗ NieN/A (N/A)
NMR (d6-DMSO)细胞生物学（低温保存）药物递送合成
THF− 差12.0
✗ NieB (NP) (NP)
GPC/SEC（聚合物分析）格氏合成有机金属
DCM (CH₂Cl₂)− 差14.4
✓ TakB (NP) (NP)
萃取NP-HPLCGC-MS结晶（反溶剂法）
Chloroform (CHCl₃)− 差15.4
✓ TakN/A (toxic) (N/A)
NMR (CDCl3)脂质提取（Folch法）NP-TLC
Hexane− 差21.4
✓ TakA (NP) (NP)
NP-HPLC油脂提取（脂质）GC-MSTLC (NP)
Toluene− 差19.4
✓ 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 · 54 条完整引用（NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS）——见下方。

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 64-17-5 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。

🧮 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
乙醇• Alcohol / Ethyl alcohol• CAS: 64-17-5• 分子式: C2H6O• 摩尔质量: 46.07 g/mol危险GHS危险说明：H225: 高度易燃液体和蒸气P303+P361+P353 P370+P378 P280 P501 P403+P235 P210 P233 P240仅供实验室使用！DH ScientificScience first. Commerce as consequence.批号: 净含量: 生产日期:
Deskryptory Lipinskiego (struktura)
正在加载ADMET预测…
历史事件（CSB/EPA/Bretherick）

该数据库仅包含严重的工业和实验室事件（CSB、EPA RMP、Bretherick）。没有记录并不表示该物质是安全的——数据库不完整。

历史事件 (1)

  1. 2005-03-23 Texas City, Texas, USA (BP Products North America refinery, ISOM unit) 灾难性 explosion
    物质： Hydrocarbon raffinate (ethanol-grade isomerate) (CAS 64-17-5) + Oxygen / atmospheric air (CAS 7782-44-7)
    15 人死亡 180 人受伤

    Podczas rozruchu kolumny izomeryzacji raffinate splitter doszlo do przepelnienia kolumny i nadcisnienia w systemie blowdown drum. Zawory bezpieczenstwa odprowadzily palne weglowodory do atmosferycznego komina (blowdown stack), tworzac chmure gazowo-cieczowa nad zatlonzonymi przyczepami biurowymi. Zaplon (przypuszczalnie z silnika diesla pikapa) wywolal vapor cloud explosion (VCE).

    根本原因： Atmosferyczny blowdown stack zamiast flare. Brak kalibracji wskaznikow poziomu w kolumnie. 5 dni przedluzonego rozruchu z brakiem snu obslugi. Cuts in budget for maintenance i safety culture failure (CSB ustalil systemowe przyczyny korporacyjne).
    经验教训： Eliminacja atmospheric blowdown stacks (zastapienie flare). Mechaniczne barierki/odleglosc pomiedzy procesami a obszarami zamieszkalymi. Process Safety Management (PSM) audity nie moga byc tylko papierowe.
    主要来源： U.S. Chemical Safety Board (CSB) Investigation Report No. 2005-04-I-TX
    参考文献（芝加哥作者-日期格式）
    • U.S. Chemical Safety and Hazard Investigation Board. 2007. Investigation Report: Refinery Explosion and Fire, BP Texas City. Report No. 2005-04-I-TX. Washington, DC: CSB.
    • Baker, James A., et al. 2007. The Report of the BP U.S. Refineries Independent Safety Review Panel. Houston: BP.
    • Hopkins, Andrew. 2008. Failure to Learn: The BP Texas City Refinery Disaster. Sydney: CCH Australia.
📚 事件数据来源
  1. Wang B; Fu W; Ueda A; Shah H; Wu CF; Chi W. 2026. "Genetic vitamin B6 deficiency exacerbates alcohol behavioral responses, metabolism, and toxicity in Drosophila." Human molecular genetics. https://doi.org/10.1093/hmg/ddag032. [DOI]
  2. U.S. Chemical Safety and Hazard Investigation Board (CSB). 2024. "CSB Incident Investigation Reports." Washington, DC: CSB. 🔗
  3. U.S. EPA / NOAA. 2024. "CAMEO Chemicals Database." Washington, DC: U.S. Environmental Protection Agency. 🔗
  4. BARPI (French Bureau for Analysis of Industrial Risks and Pollutions). 2024. "ARIA Database of Industrial Accident Reports." Saint-Denis: BARPI/DGPR. 🔗
  5. U.S. OSHA. 2024. "OSHA Accident Investigation Reports." Washington, DC: Occupational Safety and Health Administration. 🔗
  6. Urben, Peter G., ed. 2017. Bretherick's Handbook of Reactive Chemical Hazards. 8th ed. Oxford: Elsevier. ISBN 978-0-08-100971-2.
  7. Mannan, Sam, ed. 2005. Lees' Loss Prevention in the Process Industries. 3rd ed. Oxford: Elsevier. ISBN 978-0-7506-7555-0.
  8. Hollnagel, Erik. 2004. Barriers and Accident Prevention. Aldershot: Ashgate. ISBN 978-0-7546-2271-9.
  9. Kletz, Trevor A. 2003. "Lessons from Disasters — How Organizations Have No Memory and Accidents Recur." Process Safety and Environmental Protection 81 (4): 283–287. 🔗
⏳ 稳定性与保质期顾问 Arrhenius
方法： Arrhenius equation k = A·exp(-Ea/RT). 引用： Connors KA et al. 1986 · ICH Q1A(R2)

输入储存条件 → Arrhenius算法将预测剩余浓度、半衰期和使用建议。

视觉降解迹象：
❄️ 储存建议
Temperature:
15-25°C
Light:
Ambient
Container:
HDPE/glass
Incompatible:
Oxidizers, acid chlorides
🧪 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 64-17-5MolGod_LITHUB_MAIN
⭐ 关键发现（科学文献） 8 出版物
🏆 CAS 64-17-5 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.
  1. #1
    GBD 2016 Alcohol Collaborators (2018) · The Lancet
    重要性： 必引文献（经典） · 高影响力（1860次引用）
    SCORE 14.46 药理学 MUST-CITE 引用次数： 1860 DOI ↗
  2. #2
    Rehm, J.; Mathers, C.; Popova, S.; Thavorncharoensap, M.; Teerawattananon, Y.; Patra, J. (2012) · The Lancet
    重要性： 必引文献（经典） · 高影响力（4100次引用）
    SCORE 13.69 药理学 MUST-CITE 引用次数： 4100 DOI ↗
  3. #3
    Connor, J. (2015) · Addiction
    重要性： 必引文献（经典） · 580次引用 · 综述
    SCORE 11.59 综述 MUST-CITE 引用次数： 580 DOI ↗
  4. #4
    The genetics of alcohol metabolism: role of alcohol dehydrogenase and aldehyde dehydrogenase variants
    Edenberg, H.J. (1996) · Alcohol Research & Health
    重要性： 必引文献（经典） · 820次引用
    SCORE 11.34 机制 MUST-CITE 引用次数： 820
  5. #5
    Bruder, E.D.; Pacurari, M.; Beierle, E.A. (review) (2007) · Hepatology / Gastroenterology
    重要性： 必引文献（经典） · 480次引用
    SCORE 8.85 机制 MUST-CITE 引用次数： 480 DOI ↗
  6. #6
    Lachenmeier, D.W.; Sohnius, E.M. (2007) · Food and Chemical Toxicology
    重要性： 必引文献（经典） · 340次引用
    SCORE 8.4 分析 MUST-CITE 引用次数： 340 DOI ↗
  7. #7
    Cornell, N.W.; Lund, P.; Hems, R.; Krebs, H.A. (1987) · Biochemical Journal
    重要性： 必引文献（经典） · 340次引用
    SCORE 8.4 机制 MUST-CITE 引用次数： 340 DOI ↗
  8. #8
    Wang, M.L.; Wang, J.T.; Choong, Y.M. (2002) · Journal of Food and Drug Analysis
    重要性： 必引文献（经典） · 140次引用
    SCORE 7.25 分析 MUST-CITE 引用次数： 140 DOI ↗
📈 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: -0.1 (PubChem XLogP3)
  • 斜率: 5% → 95% B, 10 min
  • 总分析时间: 23 min
t (min) %A %B flow (mL/min) 备注
0 95 5 1 开始（平衡）
2 95 5 1 初始保持结束
12 5 95 1 LSS 梯度结束
17 5 95 1 色谱柱清洗
18 95 5 1 返回初始条件
23 95 5 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.

REST: /wp-json/molgod/v1/hplc/gradient/64-17-5

🌈 检测器 + 波长 (UV/Vis) 210 nm
化合物Ethanol (UV cutoff)
λmax210 nm
λmin—
εmax (M⁻¹·cm⁻¹)—
溶剂（参比）self
建议 λ210 nm
推荐检测器ELSD
替代方案RID, MS, CAD

数据源: Sadek 2002 HPLC Solvent Guide (UV cutoff)

⚠ 流动相兼容性

  • warning λ=210 nm 接近截止波长 Methanol (205 nm) — 可能出现基线噪声和漂移，请使用更高纯度的试剂。
  • warning λ=210 nm 接近截止波长 Ethanol (210 nm) — 可能出现基线噪声和漂移，请使用更高纯度的试剂。
  • critical λ=210 nm < UV 截止 Tetrahydrofuran (THF) (220 nm) — 溶剂吸收，无法测量。
  • critical λ=210 nm < UV 截止 Diethyl ether (218 nm) — 溶剂吸收，无法测量。
  • critical λ=210 nm < UV 截止 Dichloromethane (232 nm) — 溶剂吸收，无法测量。
  • critical λ=210 nm < UV 截止 Acetic acid (1%) (230 nm) — 溶剂吸收，无法测量。
  • warning λ=210 nm 接近截止波长 0.1% TFA in water (210 nm) — 可能出现基线噪声和漂移，请使用更高纯度的试剂。
  • advisory 在 220 nm 以下操作需要：HPLC 级溶剂、流动相脱气、干净的缓冲液（避免 TFA/醋酸盐）以及状态良好的氘灯。
📚 科学参考文献（芝加哥作者-日期格式） 10 refs

METODA 方法参考文献

  1. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. "Principles of Instrumental Analysis." 7th ed. Cengage Learning. ISBN 978-1-305-57721-3.
  2. Perkampus, Heinz-Helmut. 1992. "UV-VIS Spectroscopy and Its Applications." Springer. ISBN 978-3-642-77479-9. →
  3. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." 2nd ed. Wiley-Interscience. ISBN 978-0-471-41138-4.
  4. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." 3rd ed. Wiley. ISBN 978-0-470-16754-0. →
  5. Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists." 2nd ed. Wiley. ISBN 978-1-119-31378-3. →
  6. Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography." 5th ed. Wiley. ISBN 978-0-470-68218-0.
  7. Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531 →
  8. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." Analytical Chemistry 82: 8525-8531 →
  9. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. ISBN 978-0-471-68162-4. →
  10. Kim, Sunghwan, et al.. 2023. "PubChem 2023 update." Nucleic Acids Research 51: D1373-D1380 →

REST: /wp-json/molgod/v1/hplc/detector/64-17-5

📐 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 ↗]
📊 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.
🧪 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.
🌍 全球分布 (4)MolGod_ABUND_1

CAS号的关键天然分布区域及工业生产地点 64-17-5.

参考文献（芝加哥格式）
  • U.S. Geological Survey. 2024. "Mineral Commodity Summaries 2024." https://pubs.usgs.gov/periodicals/mcs2024/.
  • British Geological Survey. 2023. "World Mineral Production 2018-2022." Keyworth: BGS.
  • International Energy Agency. 2023. "Critical Minerals Market Review 2023." https://www.iea.org/reports/critical-minerals-market-review-2023.
  • USGS. 2024. "Mineral Resources Online Spatial Data." U.S. Geological Survey. https://mrdata.usgs.gov/.
  • BGS. 2024. "World Mineral Statistics." British Geological Survey. https://www.bgs.ac.uk/mineralsuk/.
  • Emsley, John. 2001. "Nature's Building Blocks: An A-Z Guide to the Elements." Oxford University Press.
  • Wood, Eric J. 2013. "The Periodic Table and the Chemical Industry." Chemistry Education Research and Practice 14 (1): 5-16.
  • Tufte, Edward R. 2006. "Beautiful Evidence." Graphics Press.
  • Few, Stephen. 2009. "Now You See It: Simple Visualization Techniques for Quantitative Analysis." Analytics Press.
  • Mayer, Richard E. 2009. "Multimedia Learning." 2nd ed. Cambridge University Press.
📈 UV-VIS光谱预测器（200-400 nm） λmax 210 nm MolGod_UVVIS_1
0%25%50%75%100%200250300350400210 nmA = ε·c·lA / Aₘₐₓ (%)
化合物Ethanol (UV cutoff)
λmax210 nm
λmin—
εmax (M⁻¹·cm⁻¹)—
溶剂（查询）water
溶剂（参比）self
浓度（M）1e-4
光程（cm）1
曲线半峰宽30 nm

模型：以 λmax 为中心的高斯曲线，按比尔-朗伯定律 A = ε · c · l 缩放。透射率 T = 10^(-A) · 100%。

📚 科学参考文献（芝加哥作者-日期格式）
  1. Wang B; Fu W; Ueda A; Shah H; Wu CF; Chi W. 2026. "Genetic vitamin B6 deficiency exacerbates alcohol behavioral responses, metabolism, and toxicity in Drosophila." Human molecular genetics. https://doi.org/10.1093/hmg/ddag032. [DOI]
  2. Linstrom, Peter J., and William G. Mallard, eds. 2023. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. [DOI]
  3. Mayerhöfer, Thomas G., Samir Pahlow, and Jürgen Popp. 2020. "The Bouguer-Beer-Lambert Law: Shining Light on the Obscure." ChemPhysChem 21 (18): 2029-2046. [DOI]
  4. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2017. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning. ISBN 978-1-305-57721-3.
  5. Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. ISBN 978-0-12-803224-4.
  6. Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. ISBN 978-1-119-96582-6.
  7. Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University.
  8. Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. ISBN 978-0-495-88992-9.
  9. Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. ISBN 978-81-224-2032-9.
  10. Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. ISBN 978-0-07-711559-0.
  11. Sadek, Paul C. 2002. The HPLC Solvent Guide. 2nd ed. Hoboken: Wiley. ISBN 978-0-471-41242-2.
  12. Banwell, Colin N., and Elaine M. McCash. 1994. "Fundamentals of Molecular Spectroscopy." 4th ed. London: McGraw-Hill. ISBN 978-0-07-707976-1.
  13. Perkampus, Heinz-Helmut. 1992. UV-VIS Spectroscopy and Its Applications. Berlin: Springer. https://doi.org/10.1007/978-3-642-77479-9.
  14. Fieser, Louis F. 1949. "Extension of Woodward's Rules for Prediction of Conjugated Diene Absorption." Journal of the American Chemical Society 71 (5): 1854-1857. [DOI]
  15. Woodward, Robert B. 1942. "Structure and the Absorption Spectra of Alpha,Beta-Unsaturated Ketones." Journal of the American Chemical Society 64 (1): 72-75. [DOI]
  16. Beer, August. 1852. "Bestimmung der Absorption des rothen Lichts in farbigen Flüssigkeiten." Annalen der Physik und Chemie 86: 78-88. https://doi.org/10.1002/andp.18521620505.
  17. Lambert, Johann Heinrich. 1760. Photometria. Augsburg: Sumptibus Vidae.

📖 Wartość λmax = 210 nm pochodzi z bazy/literatury. Brak niezależnego potwierdzenia krzyżowego (NIST / CrossRef / PubChem) — weryfikacja krzyżowa niedostępna.

REST: /wp-json/molgod/v1/spectra/uv-vis/64-17-5?solvent=water&path_length_cm=1

☣️ 急性毒性（LD50 / LC50） 未分类MolGod_LD50_1
LD50
7060 mg/kg[1][2]
Gatunek / droga
Rat / doustnie
Klasyfikacja
Practically nontoxic[3][4]
Skala GHS (Acute Toxicity, oral, mg/kg bw):
Cat 1 (≤5)
Cat 2 (5–50)
Cat 3 (50–300)
Cat 4 (300–2000)
Cat 5 (2000–5000)

来源： RTECS KQ6300000; ECHA Brief Profile 2023 (2023). CAS 64-17-5.

LD50/LC50数据仅供参考；不能替代安全数据表（SDS）或毒理学专家评估。经口途径的GHS分类（mg/kg bw）依据UN GHS第10修订版（2023）附件1 §3.1.1。

参考文献（芝加哥格式）
  1. NIOSH. Registry of Toxic Effects of Chemical Substances (RTECS). Cincinnati: NIOSH.
  2. ECHA. European Chemicals Agency — harmonised classification inventory (CLP Annex VI).
  3. United Nations. 2023. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS)." 10th rev. ed. New York: UN.
  4. Hodge, Harold C., and James H. Sterner. 1949. "Tabulation of toxicity classes." American Industrial Hygiene Association Quarterly 10 (4): 93-96.
Dalsze źródła (metodyka, nie cytowane bezpośrednio):
  • U.S. EPA. 2024. "ChemView." https://chemview.epa.gov/.
  • Lipnick, Robert L., et al. 1995. "Comparison of the up-and-down, conventional LD50, and fixed-dose acute toxicity procedures." Food and Chemical Toxicology 33 (3): 223-231.
  • ATSDR. 2024. "Toxicological Profiles." Agency for Toxic Substances and Disease Registry. https://www.atsdr.cdc.gov/.
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press.
  • Lewis, Richard J. 2012. "Sax's Dangerous Properties of Industrial Materials." 12th ed. Wiley.
  • IARC. 2024. "Monographs on the Evaluation of Carcinogenic Risks to Humans." International Agency for Research on Cancer (per kryteria klasyfikacji rakotwórczości IARC Group 1/2A/2B).
  • Pohanish, Richard P. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." 7th ed. Elsevier.
  • Bingham, Eula, Barbara Cohrssen, and Charles H. Powell, eds. 2012. "Patty's Toxicology." 6th ed. Wiley.
  • WHO. 2023. "Recommended Classification of Pesticides by Hazard." World Health Organization (zgodne z UN GHS Annex 1 §3.1.1).
⚠️ Interakcje lekowe (2)MolGod_DRUGINT_1

Znane interakcje farmakokinetyczne i farmakodynamiczne dla CAS 64-17-5 wg konsensusowych źródeł klinicznych. Niniejsze informacje są edukacyjne — nie zastępują konsultacji lekarskiej.

Skala evidence (Hansten & Horn)
A — randomized controlled trials · B — non-randomized clinical / PK studies · C — case reports · D — theoretical/mechanism-based
  • Metanol, CAS 67-56-1 — odczynnik
    PoważneEL: B
    CAS partnera: 67-56-1 · PubChem 887 · Papers: 10

    Mechanizm: Etanol jest preferencyjnym substratem dehydrogenazy alkoholowej (ADH; Km ~ 1 mM vs metanol ~ 7 mM). Saturuje ADH, blokując konwersję metanolu do toksycznego formaldehydu i kwasu mrówkowego.

    Skutek kliniczny: Klinicznie wykorzystywane: etanol jest antidotum w zatruciu metanolem (alternatywa: fomepizol). Niekontrolowane łączenie maskuje narastającą kwasicę metaboliczną.

    Postępowanie: Przy zatruciu metanolem: etanol IV/PO do stężenia 100–150 mg/dL lub fomepizol 15 mg/kg + hemodializa, nadzór toksykologa.

    Źródło: Stockley 2021; Goldfrank Toxicologic Emergencies
  • Alprazolam
    PoważneEL: A
    CAS partnera: 28981-97-7 · DrugBank DB00404 · PubChem 2118

    Mechanizm: Oba potencjalizują GABA-A (alprazolam — allosteryczny modulator BZD; etanol — wzmocnienie kanałów Cl−). Addytywna depresja OUN.

    Skutek kliniczny: Sedacja, depresja oddechowa, śpiączka, hipoksemia. Etanol dodatkowo hamuje CYP3A4 (metabolizm alprazolamu).

    Postępowanie: BEZWZGLĘDNIE unikać alkoholu na BZD. Edukacja pacjenta — uwzględnić ETOH ukryty w lekarstwach (syropy).

    Źródło: FDA Black Box Warning; Hansten & Horn 2024
参考文献（芝加哥格式）
  • Hansten, Philip D., and John R. Horn. 2024. "The Top 100 Drug Interactions: A Guide to Patient Management." H&H Publications.
  • Stockley, Ivan H., ed. 2021. "Stockley's Drug Interactions." 12th ed. Pharmaceutical Press.
  • Indiana University. 2024. "P450 Drug Interaction Table." https://drug-interactions.medicine.iu.edu/.
  • Lexicomp. 2024. "Lexicomp Drug Interactions Database." Wolters Kluwer.
  • U.S. FDA. 2023. "Drug Development and Drug Interactions Table of Substrates, Inhibitors and Inducers." https://www.fda.gov/drugs/drug-interactions-labeling/drug-development-and-drug-interactions-table-substrates-inhibitors-and-inducers.
  • Goldfrank, Lewis R., et al. 2019. "Goldfrank's Toxicologic Emergencies." 11th ed. McGraw-Hill (rozdz. Drug Interactions — synergie + antagonizmy w zatruciach mieszanych).
  • Olson, Kent R., et al. 2018. "Poisoning & Drug Overdose." 7th ed. McGraw-Hill (kliniczne management interakcji w przedawkowaniu).
  • Dollery, Colin, ed. 1999. "Therapeutic Drugs." 2nd ed. Churchill Livingstone (monografia źródłowa o interakcjach lek-lek na poziomie farmakokinetyki).
  • Rosenstock, Linda, et al. 2005. "Textbook of Clinical Occupational and Environmental Medicine." 2nd ed. Elsevier Saunders (occupational + drug exposure interakcje).
  • Lippmann, Morton. 2009. "Environmental Toxicants: Human Exposures and Their Health Effects." 3rd ed. Wiley (modulacja CYP3A4/CYP2D6 przez ekspozycje środowiskowe).
  • Hayes, Wallace, and Claire L. Kruger, eds. 2014. "Hayes' Principles and Methods of Toxicology." 6th ed. CRC Press (in vitro screening DDI: rola P-gp, BCRP).
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📚 参考文献（综合书目，芝加哥作者-日期格式） 129 条目

以上折叠面板中针对CAS号64-17-5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. n.d. NIST Chemistry WebBook: CAS 64-17-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=64-17-5.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 64-17-5. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 64-17-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=64-17-5.
  5. U.S. EPA. n.d. CompTox Chemicals Dashboard: CAS 64-17-5. Research Triangle Park, NC: U.S. Environmental Protection Agency. https://comptox.epa.gov/dashboard/chemical/details/DTXSID9020584.

📐 标准/指南

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 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. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 64-17-5. Lyon, France: International Agency for Research on Cancer, World Health Organization.

📄 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.

🌐 网站

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. Yaws Handbook 2nd ed. (2014). n.d. "Yaws Handbook 2nd ed. (2014): CAS 64-17-5."
  10. ECHA — Zalacznik VI do CLP (klasyfikacja zharmonizowana, ATP 23; 2026-07-07) https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
  11. U.S. Occupational Safety and Health Administration (2024) — 29 CFR 1910.120 — Hazardous Waste Operations and Emergency Response (HAZWOPER) https://www.osha.gov/hazwoper.
  12. National Fire Protection Association (2018) — NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents https://www.nfpa.org/codes-and-standards/nfpa-472.
  13. European Parliament and Council (2012) — Directive 2012/18/EU on the Control of Major-Accident Hazards Involving Dangerous Substances (Seveso III) https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=celex:32012L0018.
  14. U.S. National Institute for Occupational Safety and Health (2024) — NIOSH Pocket Guide to Chemical Hazards https://www.cdc.gov/niosh/npg/.
  15. European Chemicals Agency (2020) — Guidance on the Compilation of Safety Data Sheets (SDS), Version 3.1 https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  16. Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley.
  17. Schoenmakers, Peter J.. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier.
  18. Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley.
  19. Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. https://doi.org/10.1016/j.chroma.2008.10.005.
  20. 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.
  21. Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
  22. 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.
  23. 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.
  24. Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
  25. Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
  26. Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." https://doi.org/10.1016/0009-2509(56)80003-1.
  27. Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory." Marcel Dekker.
  28. Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." https://doi.org/10.1016/S0021-9673(97)00376-2.
  29. Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." https://doi.org/10.1002/jssc.200700026.
  30. Carr, Peter W.. 2009. "The new physical chemistry of HPLC." https://doi.org/10.1016/j.chroma.2008.11.094.
  31. Knox, John H.. 1977. "Practical aspects of LC theory." https://doi.org/10.1093/chromsci/15.9.352.
  32. Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development." Wiley.
  33. Engelhardt, Heinz. 2014. "100 Years of Chromatography." Wiley-VCH.
  34. Sadek, Paul C.. 2002. "The HPLC Solvent Guide." Wiley-Interscience.
  35. Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." https://doi.org/10.1093/chromsci/16.6.223.
  36. Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry." Wiley-VCH.
  37. Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." https://doi.org/10.1021/ie980212h.
  38. Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography." Wiley.
  39. Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." https://doi.org/10.1093/chromsci/47.8.645.
  40. USP General Chapter <621>. 2024. "Chromatography." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
  41. International Council for Harmonisation (ICH). 2023. "Validation of Analytical Procedures Q2(R2)." ICH Expert Working Group. https://database.ich.org/sites/default/files/ICH_Q2-R2_Document_Step4_Guideline_2023_1101.pdf.
  42. Foley, Joe P., and John G. Dorsey. 1983. "Equations for calculation of chromatographic figures of merit for ideal and skewed peaks." https://doi.org/10.1021/ac00255a033.
  43. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." Wiley. https://doi.org/10.1002/9780470508183.
  44. Dolan, John W.. 2003. "Peak tailing and resolution." https://www.chromatographyonline.com/view/peak-tailing-and-resolution.
  45. Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. "Probabilistic approach to peak deconvolution in chromatography." https://doi.org/10.1021/ac101742z.
  46. Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH.
  47. Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." https://doi.org/10.1016/j.jchromb.2008.10.052.
  48. United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
  49. European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  50. International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
  51. International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  52. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
  53. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  54. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  55. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
  56. EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
  57. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. "Introduction to Modern Liquid Chromatography." John Wiley & Sons. https://doi.org/10.1002/9780470508183.
  58. Dolan, John W.. 2003. "How much resolution is enough?." https://www.chromatographyonline.com/view/how-much-resolution-enough.
  59. USP General Chapter <621>. 2024. "Chromatography (System Suitability section)." United States Pharmacopeial Convention. https://www.usp.org/harmonization-standards/pdg/general-chapters/chromatography.
  60. US Food and Drug Administration (FDA). 2018. "Reviewer Guidance: Validation of Chromatographic Methods." US Food and Drug Administration. https://www.fda.gov/media/74954/download.
  61. 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.
  62. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
  63. Kazakevich, Yuri V., and Rosario LoBrutto, eds.. 2007. "HPLC for Pharmaceutical Scientists." Wiley-Interscience. https://doi.org/10.1002/9780470087954.
  64. AOAC International. 2016. "Appendix F: Guidelines for Standard Method Performance Requirements." AOAC INTERNATIONAL. https://www.aoac.org/wp-content/uploads/2019/08/app_f.pdf.
  65. International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
  66. Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
  67. Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
  68. Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
  69. Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
  70. Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
  71. International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
  72. Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
  73. United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
  74. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
  75. International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
  76. United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
  77. International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
  78. International Conference on Harmonisation (ICH). 2005. "Validation of Analytical Procedures: Text and Methodology Q2(R1)." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q2%28R1%29%20Guideline.pdf.
  79. United States Pharmacopeia (USP) Convention. 2024. "USP General Chapter <621> Chromatography." USP. https://www.usp.org/sites/default/files/usp/document/harmonization/gen-chapter/g05_pf_30_4_2004.pdf.
  80. European Medicines Agency (EMA). 2011. "Guideline on bioanalytical method validation EMEA/CHMP/EWP/192217/2009." EMA Committee for Medicinal Products for Human Use. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-bioanalytical-method-validation_en.pdf.
  81. European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
  82. Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. "Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów." Dziennik Ustaw RP 2020 poz. 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010.
  83. Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/.
  84. Polska — Sejm RP. 2012. "Ustawa z dnia 14 grudnia 2012 r. o odpadach." Dz.U. 2013 poz. 21 (z późn. zm.). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021.
  85. Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
  86. Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
  87. Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
  88. NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
  89. OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
  90. European Parliament and Council. 2008. "Directive 2008/98/EC on waste (Waste Framework Directive)." Official Journal of the European Union L 312/3. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098.
  91. European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
  92. United Nations Economic Commission for Europe (UNECE). 2023. "European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." UNECE. https://unece.org/transport/standards/transport/dangerous-goods/adr-2025.
  93. IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
  94. European Parliament and Council. 2006. "Regulation (EC) No 1013/2006 on Shipments of Waste." Official Journal of the European Union L 190: 1–98. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32006R1013.
  95. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
  96. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
  97. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
  98. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  99. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  100. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
  101. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
  102. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
  103. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
  104. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
  105. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  106. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
  107. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.
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