Description
Kwas L-(+)-winowy (kwas L-tartarowy), CAS 87-69-4, chiralny kwas, spozywczy/odczynnik. Wzor C4H6O6.
L-酒石酸
2,99 €
🔒 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）。
化学概述: L-Tartaric acidMolGod_OVERVIEW_1
| 分子式 | C4H6O6 |
| 分子量 | 150.09 g/mol |
| 熔点 | 169 °C |
| 密度 | 1.79 g/cm³ |
| LogP（亲脂性） | -1.9 |
| IUPAC名称 | (2R,3R)-2,3-dihydroxybutanedioic acid |
| SMILES | [C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChIKey | FEWJPZIEWOKRBE-JCYAYHJZSA-N |
同义词: L-tartaric acid · 87-69-4 · L-(+)-Tartaric acid · L(+)-Tartaric acid · tartaric acid
数据来源： PubChem (NLM/NIH)
最后更新： 2026-11-10
科学研究
[1]EuropePMC2025
Prott, U; Maschmeier, CP; Hebisch, R; Lewin-Kretzschmar, U. 2025. "Tartaric acid - Determination of L-(+)- and D-(-)-tartaric acid in workplace air using ion chromatography (IC): Air Monitoring Method
[2]EuropePMC2025
Wang, S; Meng, L; Yang, H. 2025. "The effects of L-tartaric acid on diabetic cataracts through modulation of oxidative stress and inflammation in diabetic rats." BMC ophthalmology. https://doi.org/10.
[3]EuropePMC2025
Dosanjh, RS; Patterson, A; Harris, J; Wilson, C. 2025. "Spectroscopic investigations of a pharmaceutical solid form analogue: pyrimethanil L-tartaric acid hemi-cocrystal." Physical chemistry chemical
📚 科学参考文献（芝加哥作者-日期格式） 3 refs · 2 baz
MOLEKUŁA 按CAS号参考文献（实时来自13+数据库）
来源： db:europepmc (3)
- db:europepmc Prott, U; Maschmeier, CP; Hebisch, R; Lewin-Kretzschmar, U. 2025. "Tartaric acid - Determination of L-(+)- and D-(-)-tartaric acid in workplace air using ion chromatography (IC): Air Monitoring Method - Translation of the German version from 2025." The MAK collection for occupational health and safety. https://doi.org/10.34865/am52683e10_4or. →
- db:europepmc Wang, S; Meng, L; Yang, H. 2025. "The effects of L-tartaric acid on diabetic cataracts through modulation of oxidative stress and inflammation in diabetic rats." BMC ophthalmology. https://doi.org/10.1186/s12886-025-04409-w. →
- db:europepmc Dosanjh, RS; Patterson, A; Harris, J; Wilson, C. 2025. "Spectroscopic investigations of a pharmaceutical solid form analogue: pyrimethanil L-tartaric acid hemi-cocrystal." Physical chemistry chemical physics : PCCP. https://doi.org/10.1039/d5cp02802g. →
物理化学性质
快速参考
化学式：
C4H6O6
分子量：
150.09 g/mol
CAS号：
87-69-4
详细性质
| 属性 | 值 | 单位 | 条件 | 来源 |
|---|---|---|---|---|
| 密度（ρ） | 1.7900 | g/cm³ | 20 °C (68 °F) | |
| 熔点（mp） | 169.00 °C (336.2 °F) | 1 atm | ||
| 闪点 | 210 °C (410 °F) c.c. | PubChem (NIH/NLM) ↗ | ||
| 蒸气压 | 0.00000015 [mmHg] | PubChem (NIH/NLM) ↗ | ||
| 水溶性 | 582 mg/mL at 20 °C (68 °F) | PubChem (NIH/NLM) ↗ |
🔬 高级属性
化学标识符
SMILES:
[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI:
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
InChIKey:
FEWJPZIEWOKRBE-JCYAYHJZSA-N
数据来源： PubChem, NIST Chemistry WebBook, CRC Handbook of Chemistry and Physics (103rd ed.)
最后更新： 2026-06-12
📡 光谱学 — CAS 87-69-4MolGod_SPECHUB_MAIN
光谱数据库 — 内联数据 9 来源 MolGod_SPECDB_2
光谱按需从9个来源获取。每个光谱都存储在我们的数据库中 — 下次打开时无需向外部API发出请求。无需搜索即可为每个光谱下载JCAMP-DX / CSV / PNG。
MS (NIST)
Mass Spectrum (EI) — NIST WebBook
Public domain (US Federal)
NIST Standard Reference Database 1A
UV-Vis
UV/Visible Absorption — NIST WebBook
Public domain (US Federal)
NIST Chemistry WebBook, SRD 69
¹H NMR
NMR (¹H, ¹³C) — NMRShiftDB
CC-BY-SA 4.0
Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16
DOI: 10.1021/ci025588g
MS (MoNA)
MoNA — MassBank of North America
CC-BY 4.0
MassBank of North America (UC Davis)
DOI: 10.1002/jms.1777
IR/NMR/MS (SDBS)
SDBS — Spectral Database for Organic Compounds (Japan AIST)
Free for non-commercial
参考来源 — 无公共API。在外部数据库中打开：
🔗 IR/NMR/MS (SDBS) →
SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)
JP Monograph
Japanese Pharmacopoeia — Monographs
Reference only
参考来源 — 无公共API。在外部数据库中打开：
🔗 JP Monograph →
Japanese Pharmacopoeia 18th Edition (2021)
WHO INN
WHO — International Nonproprietary Names
WHO Model Lists (free)
参考来源 — 无公共API。在外部数据库中打开：
🔗 WHO INN →
WHO INN Programme
DOAJ
DOAJ — Directory of Open Access Journals
OA journal index (mixed)
参考来源 — 无公共API。在外部数据库中打开：
🔗 DOAJ →
DOAJ — doaj.org
理化性质（数据库） 4 字段 MolGod评分：无来源
| 属性 | 值 | 单位 | 条件 | 来源 |
|---|---|---|---|---|
| 熔点 | 169.00 | °C | 1 atm | |
| 水溶性 | soluble (≥999) | g/L | 25°C | |
| 密度 (ρ) | 1.7900 | g/cm³ | 20°C | |
| logP (辛醇/水) | -1.900 | — | 25°C |
📚 科学参考文献（芝加哥作者-日期格式） (12 来源)
- 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. ↗
- National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
- Yaws, Carl L. 2014. The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals. 2nd ed. Oxford: Gulf Professional Publishing.
- PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
- Marrero, J., and R. Gani. 2001. "Group-Contribution Based Estimation of Pure Component Properties." Fluid Phase Equilibria 183–184: 183–208. ↗
- Joback, K. G., and R. C. Reid. 1987. "Estimation of Pure-Component Properties from Group-Contributions." Chemical Engineering Communications 57 (1–6): 233–243. ↗
- Sangster, J. 1997. Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry. Chichester: Wiley. ISBN 978-0-471-97397-3.
- 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. ↗
- 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.
- Constantinou, Leonidas, and Rafiqul Gani. 1994. "New Group Contribution Method for Estimating Properties of Pure Compounds." AIChE Journal 40 (10): 1697–1710. ↗
- 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. ↗
🛡️ 安全 — CAS 87-69-4MolGod_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)
🚨 危险说明（H）
- H302 — 吞咽有害
- H315 — 造成皮肤刺激
- H317 — 可能导致皮肤过敏反应
- H318 — 造成严重眼损伤
- H319 — 造成严重眼刺激
- H335 — 可引起呼吸道刺激
🛡 防范说明（P）
- P261 — 避免吸入粉尘/烟/气体/气雾/蒸气/喷雾。
⚠ 基于来源共识的分类（PubChem/供应商通知）——未与附件VI（CLP）中的统一分类进行验证。危害范围可能比官方分类更广；使用前请与供应商当前的安全数据表进行验证。
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： 87-69-4 ·
PubChem ↗
- 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
- 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
- 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
- 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
- European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
- UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
- National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
- Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
- Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
- 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 tG = |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
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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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
- 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 ↗]
- Dolan, John W.. 2014. LC Troubleshooting (monthly column 1989-2024). LCGC North America. [link ↗] — John Dolan 35-letnia seria miesięcznych artykułów problemowych
- 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
- Dolan, John W.. 2013. When to Modify Method Conditions. 192-199. [link ↗] — Decision flow for changing flow rate / temperature / %B vs swapping columns.
- 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).
- 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).
- 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.
- 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).
- 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).
- 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).
- 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 ↗]
- Carr, Peter W.. 2009. The new physical chemistry of HPLC. 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 [link ↗]
- 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 ↗]
- Engelhardt, Heinz. 2014. 100 Years of Chromatography. 2nd ed. Wiley-VCH. ISBN 978-3-527-33473-5.
- Vivó-Truyols, Gabriel, and Hans-Gerd Janssen. 2010. Probabilistic approach to peak deconvolution in chromatography. 8525-8531. https://doi.org/10.1021/ac101742z [link ↗]
ADMET — ADMET 性质
正在加载ADMET预测…
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输入您要制备的内容——我将生成SOP
示例如下——点击插入：
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📚 科学文献概览 — CAS 87-69-4MolGod_LITHUB_MAIN
⭐ 关键发现（科学文献） 3 出版物
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87-69-4
— multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.
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#1Gao Q; Song Y; Liang Y et al. (2022) · Foods (Basel, Switzerland)重要性： 必引文献（经典）
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#2Dong S, Xuan J, Feng Y et al. (2024) · The Journal of biological chemistry重要性： 近期（2024） · open access
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#3Wegenast CA, Meadows ID, Anderson RE et al. (2022) · Journal of veterinary emergency and critical care (San Antonio, Tex. : 2001)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）。
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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87-69-4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
- NIST. 2026. NIST Chemistry WebBook: CAS 87-69-4. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=87-69-4. (Accessed 2026-11-12.)
- AIST. 2026. Spectral Database for Organic Compounds (SDBS): CAS 87-69-4. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/. (Accessed 2026-11-12.)
- PubChem. 2026. PubChem Compound Summary: CAS 87-69-4. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=87-69-4. (Accessed 2026-11-12.)
- ECHA. 2026. C&L Inventory and REACH Registration: CAS 87-69-4. Helsinki: European Chemicals Agency. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf. (Accessed 2026-11-12.)
📐 标准/指南
- ICH. 2026. "ICH Harmonised Guideline: CAS 87-69-4." Geneva: International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf. (Accessed 2026-11-12.)
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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
- 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.
- 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.
- 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.
- Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
- 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
- IARC. 2026. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 87-69-4. Lyon, France: International Agency for Research on Cancer, World Health Organization. (Accessed 2026-11-12.)
📄 科学文章（同行评审）
- 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.
- 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
- ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
- European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
- ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
- 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.
- 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.
- ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
- 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.
- ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
- U.S. OSHA. 2026. "Occupational Safety and Health Guidance: CAS 87-69-4." Washington, DC: U.S. Occupational Safety and Health Administration. https://www.osha.gov/hazwoper. (Accessed 2026-11-12.)
- 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.
- European Union. 2026. "EUR-Lex Legal Database: CAS 87-69-4." Luxembourg: Publications Office of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=celex:32012L0018. (Accessed 2026-11-12.)
- U.S. National Institute for Occupational Safety and Health (2024) — NIOSH Pocket Guide to Chemical Hazards https://www.cdc.gov/niosh/npg/.
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- 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.
- 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.
- Dong, Michael W.. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793.
- 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.
- Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199. https://www.chromatographyonline.com/view/when-modify-method-conditions.
- Meyer, Veronika R.. 2010. Practical High-Performance Liquid Chromatography. Wiley.
- Engelhardt, Heinz. 2014. 100 Years of Chromatography. Wiley-VCH.
- 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.
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- Dolan, John W.. 2003. "Peak tailing and resolution." https://www.chromatographyonline.com/view/peak-tailing-and-resolution.
- Kromidas, Stavros. 2017. "HPLC Made to Measure: A Practical Handbook for Optimization." Wiley-VCH.
- Heyden, Yvan Vander, et al.. 2009. "Robustness of pharmaceutical liquid chromatographic methods." https://doi.org/10.1016/j.jchromb.2008.10.052.
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