Lactic Acid (CAS 50-21-5), CAS 50-21-5 — chemical product label

Lactic Acid (CAS 50-21-5)

Lactic Acid. CAS 50-21-5.

Free, and generated automatically from the sources listed on this page. No person has reviewed it, and it describes the substance in general — not your material, your process or your intended market.

REACH 2020/878
v3 · 21.10.2026

第 9 部分 — 理化特性：已确定 10 项，共 22 项。

我们展示已确定的内容，并指明尚未确定的内容。每张卡片上的分类和标识信息都是完整的；公开数据较少的是第9部分。

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您将收到的内容 — 以及这不是什么

您将收到的内容

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关于语言版本

这些选项用于切换本页面的语言。 Single substances. Mixtures on enquiry. One document, one language — additional languages are priced separately. Every version, including the Chinese one, is written to EU law — (EC) No 1907/2006 (REACH) Annex II and (EU) 2020/878 — and translated from it. The Chinese version is a reference translation, not a legally valid document for the Chinese market: an SDS for China must be compiled separately to GB/T 16483 and GB/T 17519.

🧬 3D分子可视化器
正在加载分子...
3D模型Lactic Acid，CAS 50-21-5，分子式C3H6O3, 摩尔质量 90.08 g/mol

模型视图

  • Lactic Acid (CAS 50-21-5) – 3D球棍模型, MolGod Viewer
    3D球棍模型
  • Lactic Acid (CAS 50-21-5) – 3D骨架模型, MolGod Viewer
    3D骨架模型
  • 3D空间填充模型 – 旋转动画
  • Lactic Acid (CAS 50-21-5) – 二维结构, MolGod Viewer
    二维结构

© 2026 MolGod.org。保留所有权利。 · 图片版权

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。

🖨️ 3D 打印模型与许可

该分子带底座的可直接打印模型：旋转、放大，查看刚打印完成和去除支撑后的样子。

3D 打印模型预览——用鼠标或手指旋转；切换：带支撑 / 去除支撑

正在加载 3D 模型…

拖动可旋转；滚轮或双指可缩放。

自己打印——免费

130 × 130 × 96 mmPLA，0.4 mm 喷嘴，0.2 mm 层高约 125–131 g 耗材打印时间 10 h 57 min – 15 h 46 min（取决于打印机）非商业用途免费，CC BY-NC-SA 4.0 许可尚未实际打印——您的打印可能是第一个
  • 许可 CC BY-NC-SA 4.0：可在署名的前提下，出于非商业目的（家庭、学校、大学、创客空间）打印、分享和改编含底座的打印模型。 CC BY-NC-SA 4.0
  • 商业用途——出售打印品及付费打印服务——须获得我们的许可：[email protected]。
  • 单独的分子（NORMAL 和 ENGRAVED 文件）仍采用 CC BY-SA 4.0 许可。

1. 下载文件

不知道选哪个？Prusa MK4、MINI 或 Ender-3 S1——直接用对应的 G-code。其他打印机——用 3MF 项目（PrusaSlicer）或 STL（其他切片软件）。在创客空间或打印店打印——交给他们 ZIP 软件包和 PDF 技术表。

适用于您打印机的现成 G-code——每个文件仅适用于其名称中的打印机。载入即可打印：

其他打印机？下载包含全部设置的 3MF 项目，用 PrusaSlicer 打开——或把模型导入您自己的切片软件。

2. 按原样打印

底座平放在打印平台上，不要旋转或缩放——文件单位为毫米。保持切片软件的自动支撑开启。

在您自己的切片软件中：使用有机（树状）支撑，并关闭“仅从打印板生成”（on build plate only）——每棵支撑树都从底座开始（Cura：Support Placement = Everywhere）。选择打印机后按 A（排列），让模型位于打印板中央。

3. 完成模型

只去除橙色的切片支撑。保留全部 7 根黄色铅笔柱——它们是模型的一部分，支撑着分子。用斜口钳从上往下剪掉支撑；不要拉扯或扭转。模型以单色打印——颜色只出现在预览和下图中。

去除什么、保留什么，以及如何可选地把分子从底座上取下

第 3 幅为渲染图，并非打印实物照片——模型以单色打印。

可选：想把分子拿在手里转动吗？最后一步，在每根黄色铅笔柱紧贴球体下方的细颈处（约 2 mm）剪断，并把留在球上的小锥体打磨平整。请慢慢操作——化学键只有约 2 mm 粗。我们尚未通过自己的打印确认这一步。

4. 给我们看看您的打印成品

请把打印成品的照片——带支撑和去除支撑后的——发送到 pure@molgod.org。

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3D 打印讲究细节。如果打印效果不理想，请把照片发给我们：我们会提供帮助，并根据您的反馈改进模型。 您是教师？加入试点第一批 →

没有 3D 打印机？

可以询问学校创客空间、配有 3D 打印机的图书馆或本地 3D 打印服务。把打印包或技术数据表（PDF）交给他们——所需信息都在里面。

付费 3D 打印服务属于商业用途，需要我们的商业许可：pure@molgod.org。免费打印的学校创客空间、图书馆或大学则不需要。

状态：已完成数字检查和切片验证；我们尚未进行实体打印。您的打印可能是第一个。 打印设置、文件和许可 ↓

Lactic Acid (CAS 50-21-5), C3H6O3 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL preview下载图片

MG_545-115-752-92 · engraved · 150,798 △ · 7 MB · SHA-256 019bb8666da872fa

下载 3D 模型 · ENGRAVED · C H O

Lactic Acid (CAS 50-21-5) - 3D model ready to print on a display base, MolGod STL preview下载图片

MG_545-115-752-92 · ready to print · ANT HOUSE v7 · 282,598 △ · 13 MB · SHA-256 4ed73c7c99b958a7

Digital geometry validated. Slicer-tested with the stated profile. Physical print not yet tested.

打印尺寸单位为毫米：按 100 % 导入，请勿缩放。

3D 打印设置 · ANT HOUSE v7 — 数字几何已验证；已使用下方配置（PrusaSlicer 2.8.1 · ANT HOUSE profile v4 (in the 3MF)）对此文件进行切片检查；尚未进行实物打印。
文件molgod-50-21-5-ready-to-print.stl · ANT HOUSE v7
SHA-256 4ed73c7c99b958a71d93bf9d9c370ee7507cd1a346e2789745d6978df8dd1676
已于 2026-10-29 (UTC) 针对此 SHA-256 完成切片
就绪等级第 3 级（共 5 级）— 切片已验证 （1 已生成 · 2 几何已验证 · 3 切片已验证 · 4 已实物打印 · 5 打印合格）。 专为 FDM 打印设计。几何已验证，已使用指定配置检查切片。尚未进行实物打印。
方法FDM, PLA 1.75 mm
喷嘴0.4 mm（最小细节按此喷嘴设计；请勿使用更大的喷嘴）
层高0.2 mm
填充15%，外壳 3 圈
支撑是。7 根铅笔式支撑（Ø 3.5 / 5 mm，六边形，“笔芯”颈部 Ø 1.8 mm，原子下方带 45° 托杯，长 10.0–50.7 mm）是模型的一部分——请勿移除。另请启用切片软件的自动支撑：它们是临时的（在我们的测试中约占打印体积的 18 %）——在最小的球体（如氢原子）和细键附近请小心移除。 在您自己的切片软件中：使用有机（树状）支撑，并关闭“仅从打印板生成”（on build plate only）——每棵支撑树都从底座开始（Cura：Support Placement = Everywhere）。选择打印机后按 A（排列），让模型位于打印板中央。
温度3MF 配置：首层喷嘴 215 °C，之后 210 °C；热床 60 °C（起始值——请遵循耗材厂商的范围）；零件风扇从第 4 层开启。现成 G-code 使用打印机厂商配置中的温度和风扇设置（见软件包中的 gcode/README_GCODE.txt）。 现成 G-code（Prusa MK4、Prusa MINI、Creality Ender-3 S1）：首层喷嘴 210 °C，之后 205 °C；热床 60 °C——数值取自各文件头。
摆放方向按原样打印：底座平放在打印平台上（二维码面朝下）；请勿旋转
比例按 100 % 导入——文件单位为毫米；请勿缩放 （分子比例 1 Å = 20.49 mm）
整体尺寸130.0 × 130.0 × 96.1 mm (X × Y × Z)；底座 Ø 130 × 20 mm
已验证2026-10-31 (UTC)：此文件的几何检查
最小打印平台155 × 155 mm；高度 102 mm
预计打印时间约 13 h 0 min（PrusaSlicer 中的 3MF 配置；现成 G-code 的时间见上方）
耗材 (PLA)约 125–131 g（切片软件估算）

此模型的打印方式

Lactic Acid（CAS 50-21-5）刚打印完成：橙色切片支撑，黄色铅笔支柱
刚打印完成：去除橙色的切片支撑，保留黄色铅笔支柱
Lactic Acid（CAS 50-21-5）去除切片支撑后的成品模型
成品模型：白色分子立于黄色铅笔支柱上，带凸起的 MolGod 标志

渲染图 (PNG)：

Lactic Acid（CAS 50-21-5）可直接打印的 3D 模型，正视图，由 MolGod STL 文件渲染
正视图
Lactic Acid（CAS 50-21-5）可直接打印的 3D 模型，侧视图，由 MolGod STL 文件渲染
侧视图
Lactic Acid（CAS 50-21-5）可直接打印的 3D 模型，四分之三视图，由 MolGod STL 文件渲染
四分之三视图
Lactic Acid（CAS 50-21-5）可直接打印的 3D 模型，俯视图，由 MolGod STL 文件渲染
俯视图
Lactic Acid（CAS 50-21-5）可直接打印的 3D 模型，底视图，由 MolGod STL 文件渲染
底视图

供打印服务商使用：
技术数据表（PDF：图纸、尺寸、打印规格） · 616 KB · SHA-256 eba8d1a10c38bb99…
打印资料包（ZIP：STL、含设置的 3MF、G-code、分步说明、附来源的设计说明、“需去除部分”示意图、预览图、切片配置、检查报告、质检清单、反馈表、许可证） · 51 MB · SHA-256 56b035ca3069d121…

下载 3D 模型 · READY TO PRINT · STL · 13 MB · base Ø 130 mm · single integrated solid

Lactic Acid (CAS 50-21-5), C3H6O3 - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG_545-115-752-92 · normal · 4,992 △ · 244 KB · SHA-256 74637ac0e0c14bbf

下载 3D 模型

许可与来源 ↓

⚠️ MolGod.org 的标志和名称（包括底座上的凸起标志）是我们的商标。知识共享许可不涵盖商标（§ 2(b)(2)）。未经我们书面许可，不得使用 MolGod.org 标志标识您自己的产品、用于广告，或以暗示我们认可的方式使用。

📊 物理化学数据 — CAS 50-21-5
📊 物理化学性质

快速参考

化学式： C3H6O3
分子量： 90.08 g/mol
CAS号： 50-21-5
气味： Bez zapachu
🔬 高级属性

化学标识符

SMILES: CC(C(=O)O)O

最后更新： 2026-09-02

化学概述: Lactic Acid
分子式C3H6O3[1]
分子量90.08 g/mol[1]
LogP（亲脂性）-0.7[1]
IUPAC名称2-hydroxypropanoic acid[1]
SMILESCC(C(=O)O)O[1]
InChIKeyJVTAAEKCZFNVCJ-UHFFFAOYSA-N[1]

同义词: lactic acid · 2-hydroxypropanoic acid · DL-Lactic acid · 50-21-5 · 2-hydroxypropionic acid

数据来源： PubChem (NLM/NIH)
最后更新： 2026-09-03

📚 科学参考文献（芝加哥作者-日期格式） (1 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 分子式 · 分子量 · LogP（亲脂性） · IUPAC名称 · SMILES · InChIKey
物质监管状态
该物质受监管要求约束： 危险废物管理（BDO——波兰国家规定）. 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
🧪 化学数据
CAS号
50-21-5
分子式
C3H6O3
摩尔质量
90.08 g/mol
IUPAC名称 (EN)
2-hydroxypropanoic acid
SMILES
CC(C(=O)O)O
InChIKey
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
📡 Data sources

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical properties
Temp. topnienia
16.9
Density
1.202

Source: PubChem, NIST WebBook. Last updated: 2026-09-02

🔍 外部标识符
13 / 16个ID系统81%
数据库标识符操作
CAS Registry Number50-21-5打开 →
PubChem CID612[1]打开 →
InChIKeyJVTAAEKCZFNVCJ-UHFFFAOYSA-N[1]打开 →
SMILESCC(C(=O)O)O[1]
EC Number200-018-0[2]打开 →
ChEMBLCHEMBL1200559[3]打开 →
DrugBankDB04398打开 →
KEGG CompoundD00111打开 →
ChemSpider592[4]打开 →
MeSH UID (NLM)D019344打开 →
UNII (FDA)3B8D35Y7S4打开 →
NSC Number (NCI)744011打开 →
WikiData QIDQ161249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 · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ applies to: ChemSpider
📡 光谱学 — CAS 50-21-5
📊 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. ↗
结构性质
参数值单位
分子式C3H6O3
摩尔质量90.08g/mol
精确质量90.031694049Da
单同位素质量90.031694049Da
拓扑极性表面积（TPSA）57.5000Ų
XLogP3-0.7000
复杂度指数59.1
氢键供体2
氢键受体3
可旋转键1
重原子6
立体中心（原子）1
立体中心（键）0
3D 体积68ų
3D 构象数4
构象模型 RMSD0.4000Å
有效 3D 旋转键1
氢键受体（3D）3
氢键供体（3D）1
环（3D）0
疏水中心（3D）0
立体四极3D（X/Y/Z）1.93 / 1.31 / 0.68Ų

来源： PubChem计算属性，CID 612

❓ 常见问题 (7)
What is Lactic Acid?
Lactic Acid (CAS 50-21-5) is a chemical compound with the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. The chemical data comes from PubChem (National Institutes of Health, USA).
有帮助吗？
What is the CAS number of Lactic Acid?
The CAS number for Lactic Acid is 50-21-5. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
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What is the chemical formula of Lactic Acid?
The molecular formula of Lactic Acid is C3H6O3. Its molecular weight is 90.08 g/mol.
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What is the melting point of Lactic Acid?
The melting point of Lactic Acid is 16.9.
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What is the density of Lactic Acid?
The density of Lactic Acid is 1.202.
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Is Lactic Acid hazardous?
Lactic Acid has no harmonised EU classification (CLP Annex VI). The supplier's self-classification (not legally binding) lists: H315, H318, H314. Read the safety data sheet before use and follow the handling precautions it states.
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How should Lactic Acid be stored?
Lactic Acid should be stored as its safety data sheet directs — typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
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➕ 建议问题
下载结构文件

来自PubChem数据库（NIH）的分子结构文件。兼容Avogadro、PyMOL、Jmol和ChemDraw等程序。

来源：PubChem，美国国家医学图书馆（NIH）。 CID: 612

🔄 浓度单位转换器 实时

输入Lactic Acid浓度（任意单位），其余将自动计算。

分子量： 90.08 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.811e2008
    → 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
相似分子结构

正在加载相似结构...

🧪 溶液制备向导 WIZARD
① 选择浓度
② 目标体积
③ 溶剂

计算依据： IUPAC Gold Book ↗, Merck ↗

计算化学

分子描述符

参数值单位
XLogP3（亲脂性）-0.70
亲水性（偏好水相）
拓扑极性表面积（TPSA）57.50Ų
极性低，易穿透血脑屏障
复杂度指数59.1
形式电荷0
中性分子

Lipinski五规则

标准值规则状态
摩尔质量90.08 g/mol<= 500✓
XLogP3-0.70<= 5✓
氢键供体2<= 5✓
氢键受体3<= 10✓

该化合物满足Lipinski规则——可能具有良好的口服生物利用度。

3D 药效团特征

参数值单位
氢键受体（3D）3
氢键供体（3D）1
环（3D）0
疏水中心（3D）0
阴离子中心（3D）1
阳离子中心（3D）0

形状与体积

参数值单位
3D 体积68.00ų
可旋转键1
重原子6

TPSA 解读和 Lipinski 规则是针对小分子口服药物的经验规则（Lipinski 1997、Veber 2002、Kelder 1999），并非对该物质吸收或毒性的评估——安全数据见安全数据表。

来源： PubChem计算属性，CID 612

🛡️ 安全 — CAS 50-21-5
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)
GHS05 — 腐蚀性
GHS05 腐蚀性
GHS07 — 刺激性/有害
GHS07 刺激性/有害

🚨 危险说明（H）

  • H315 — 造成皮肤刺激
  • H318 — 造成严重眼损伤
  • H314 — 造成严重皮肤灼伤和眼损伤

🛡 防范说明（P）

  • P260 — 不要吸入粉尘/烟/气体/气雾/蒸气/喷雾。
  • P264 — 作业后彻底清洗手部[和……]。

⚠ 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： 50-21-5 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Regulation (EC) 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. 急救、毒理学
  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. [↗] 急救、个人防护装备、毒理学
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] 个人防护装备
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] 处置、法规
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] 储存
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] 储存
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. 国家规定——波兰 [↗] 废物处置
  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. [↗] 毒理学

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）
药物状态

Lek zatwierdzony (Faza 4)

I期
II期
III期
已批准

已获监管机构批准上市。

ChEMBL CHEMBL1200559 ↗

🚚 运输分类（ADR / IATA / IMDG）

UN 3265 — 请在 ADR 2025（表 A）中核实运输类别。数据表第 14 部分给出了 UN 编号，但没有经确认的 ADR 类别。

来源: Karta SDS sek.14 (UN bez potwierdzonej klasy)

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

📅 项目规划器——实验室实验管理器 新品

规划您的整个实验室项目：添加实验（含试剂、重复次数和持续时间）。您将获得甘特图、购物清单（含商店链接！）、预算（含10%余量）和GHS风险矩阵。

🧪 溶解性和溶剂兼容性
分子
Lactic Acid
分子式
C3H6O3
logP (XLogP3)
-0.70
摩尔质量（g/mol）
90.08
极性
亲水性（极性）

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

该物质暂无溶剂相容性表。
Hansen 参数超出该方法的范围，因此无法计算距离 Ra，且数据库中也没有可替代的溶解度实测数据。与其给出十一项毫无依据的评级，我们选择不显示。请依据安全数据表和实验数据选择溶剂。
📚 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）— 见下文。

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 — 周围神经病变（正己烷并非 IARC 致癌物）
  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, solvatochromism.
  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 for dD/dP/dH from 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 50-21-5 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。

⚗️ 检查反应兼容性
1 0 0
健康： 1/4
易燃性： 0/4
反应性： 0/4
根据NFPA 704 / 由H代码计算

检查Lactic Acid是否与另一种试剂兼容

📦 储存兼容性矩阵
酸类 碱 氧化剂 易燃 毒性 Gazy
酸类 ✓ ✗ ✗ ✗ ⚠ ✗
碱 ✗ ✓ ⚠ ⚠ ⚠ ⚠
氧化剂 ✗ ⚠ ✓ ✗ ⚠ ✗
易燃 ✗ ⚠ ✗ ✓ ⚠ ✗
毒性 ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ 可一起储存 · ⚠ 谨慎 · ✗ 禁止一起储存 · OSHA Chemical Segregation ↗

兼容性数据来源： Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 实验室计算器（8个）
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
📋 实验室方案生成器

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Dl-Lactic Acid• lactic acid / 2-hydroxypropanoic acid• IUPAC: 2-hydroxypropanoic acid• CAS: 50-21-5• EC: 200-018-0• 分子式: C3H6O3• 摩尔质量: 90.08 g/mol危险Nonsensia Ltd124-128 City Road, EC1V 2NX Londonpure@molgod.orgmolgod.org批号: 净含量:
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The Gap Report Guarantee

If the available evidence cannot support a defensible document for your CAS number and product specification, we will not invent the missing values. You receive a documented gap report and choose: a refund, store credit, or the report on its own.

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Lactic Acid — CAS 50-21-5. Prepared from the supplier’s public catalogue; not verified against their internal data.

⚗️ 电离度随pH值变化（Henderson-Hasselbalch）

类型: 酸 · pKa: 3.86

024681012140%50%100%% 电离% 未电离pH
pH% 电离% 未电离
00.0 %100.0 %
21.4 %98.6 %
458.0 %42.0 %
699.3 %0.7 %
8100.0 %0.0 %
10100.0 %0.0 %
12100.0 %0.0 %
14100.0 %0.0 %
该物质的来源（8）
  • CRC Handbook 91st ed.
    Lide, David R., ed. 2010. CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press.
  • CRC Handbook 105th ed.
    Haynes, William M., David R. Lide, and Thomas J. Bruno, eds. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton, FL: CRC Press.
  • NIST WebBook — link
    Linstrom, Peter J., and William G. Mallard, eds. 2024. NIST Chemistry WebBook. NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology.
  • PubChem CID 612 — link
    Kim, Sunghwan, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. PubChem CID 612.
  • DrugBank DB04398 — link
    Knox, Craig, Mike Wilson, Christen M. Klinger, Mark Franklin, Eponine Oler, Alex Wilson, Allison Pon, et al. 2024. "DrugBank 6.0: the DrugBank Knowledgebase for 2024." Nucleic Acids Research 52 (D1): D1265-D1275. DrugBank ID DB04398.
  • KEGG COMPOUND C00186 — link
    Kanehisa, Minoru, Miho Furumichi, Yoko Sato, Masayuki Kawashima, and Mari Ishiguro-Watanabe. 2023. "KEGG for taxonomy-based analysis of pathways and genomes." Nucleic Acids Research 51 (D1): D587-D592.
  • IUPAC
    Serjeant, E. P., and Boyd Dempsey. 1979. Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. Oxford: Pergamon Press.
方法参考文献 (Chicago)
  • Henderson, L. J. 1908. "Concerning the Relationship between the Strength of Acids and Their Capacity to Preserve Neutrality." American Journal of Physiology 21 (4): 173-179.
  • Hasselbalch, K. A. 1917. "Die Berechnung der Wasserstoffzahl des Blutes aus der freien und gebundenen Kohlensäure desselben." Biochemische Zeitschrift 78: 112-144.
  • Po, Henry N., and N. M. Senozan. 2001. "The Henderson-Hasselbalch Equation: Its History and Limitations." Journal of Chemical Education 78 (11): 1499-1503.
  • Avdeef, Alex. 2012. "Absorption and Drug Development: Solubility, Permeability, and Charge State." 2nd ed. Wiley.
  • Avdeef, Alex. 2007. "Solubility of sparingly-soluble ionizable drugs." Advanced Drug Delivery Reviews 59 (7): 568-590.
  • Volgyi, Gergely, et al. 2007. "Potentiometric and spectrophotometric pKa determination of water-insoluble compounds." Analytica Chimica Acta 583 (2): 418-428.
  • Fini, Adamo, Giuseppe Fazio, and Giuseppina Feroci. 1997. "Solubility and solubilization properties of non-steroidal anti-inflammatory drugs." Pharmaceutica Acta Helvetiae 70 (4): 305-318.
  • Mauger, John W., Anthony N. Paruta, and Robert J. Gerraughty. 1972. "Solubilities of sulfadiazine, sulfisomidine, and sulfadimethoxine." Journal of Pharmaceutical Sciences 61 (1): 94-97.
  • Lyman, Warren J., William F. Reehl, and David H. Rosenblatt. 1990. "Handbook of Chemical Property Estimation Methods." American Chemical Society.
  • Marcus, Yizhak. 1998. "The Properties of Solvents." Wiley.
  • Serjeant, E. P., and Boyd Dempsey. 1979. Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series No. 23. Oxford: Pergamon Press.
  • Perrin, Douglas D. 1965. Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC. London: Butterworths.
  • Goldberg, Robert N., Nand Kishore, and Rebecca Lennen. 2002. "Thermodynamic Quantities for the Ionization Reactions of Buffers." Journal of Physical and Chemical Reference Data 31 (2): 231-370.
  • Rumble, John R., Thomas J. Bruno, Maria J. Doa, and Donald R. Burgess, eds. 2024. CRC Handbook of Chemistry and Physics. 105th ed. Boca Raton, FL: CRC Press.
  • Lide, David R., ed. 2010. CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press.
  • Kim, Sunghwan, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380.
  • Knox, Craig, Mike Wilson, Christen M. Klinger, Mark Franklin, Eponine Oler, Alex Wilson, Allison Pon, et al. 2024. "DrugBank 6.0: the DrugBank Knowledgebase for 2024." Nucleic Acids Research 52 (D1): D1265-D1275.
  • Zdrazil, Barbara, Eloy Felix, Fiona Hunter, Emma J. Manners, James Blackshaw, Sybilla Corbett, Marleen de Veij, et al. 2024. "The ChEMBL Database in 2023." Nucleic Acids Research 52 (D1): D1180-D1192.
  • Kanehisa, Minoru, Miho Furumichi, Yoko Sato, Masayuki Kawashima, and Mari Ishiguro-Watanabe. 2023. "KEGG for taxonomy-based analysis of pathways and genomes." Nucleic Acids Research 51 (D1): D587-D592.
  • Linstrom, Peter J., and William G. Mallard, eds. 2024. NIST Chemistry WebBook. NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology.
  • Nelson, David L., and Michael M. Cox. 2017. Lehninger Principles of Biochemistry. 7th ed. New York: W. H. Freeman.
📄 分析证书（CoA） CAS 50-21-5 无

数据库中无此产品的证书。

📚 科学参考文献（芝加哥作者-日期格式）——点击展开

批次管理与实验室认证标准——13个独立来源（ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG）。

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [链接 ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [链接 ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [链接 ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [链接 ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [链接 ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [链接 ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [链接 ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [链接 ↗] — US legal mandate (Subpart J — Records and Reports)
  9. 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. [链接 ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [链接 ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [链接 ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [链接 ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [链接 ↗] — Excipient-grade CoA standard for non-API ingredients
☣️ 急性毒性（LD50 / LC50） GHS危险类别5——非常低
LD50
3543 mg/kg[1][2]
物种 / 暴露途径
Rat / 经口
分类
Slightly toxic[3][4]
GHS 分级（急性毒性，经口，mg/kg 体重）：
Cat 1 (≤5)
Cat 2 (5–50)
Cat 3 (50–300)
Cat 4 (300–2000)
Cat 5 (2000–5000)

来源： RTECS OD2800000; ECHA Brief Profile Lactic Acid 2023 (2023). CAS 50-21-5.

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.
其他来源（方法学，未直接引用）：
  • 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 (classification criteria for carcinogenicity: 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).
📜 专利（公开元数据） 无数据

目前未在Crossref/OpenAlex中找到该物质的公开专利元数据。数据将在下次缓存刷新（24小时）后自动更新。

📚 参考文献（芝加哥作者-日期格式）——点击展开
  1. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  2. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  3. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  4. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  5. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  6. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  7. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  8. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
  9. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  10. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  11. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  12. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/50-21-5?status=active&limit=10

数据来自PubChem来源： PubChem (NIH) · ChEMBL
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📚 参考文献（综合书目，芝加哥作者-日期格式） 77 条目

以上折叠面板中针对CAS号50-21-5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 50-21-5. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=50-21-5.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 50-21-5. 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 50-21-5. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=50-21-5.

📐 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://openlibrary.org/isbn/9780471879558.
  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.

📄 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. 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/.
  10. 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.
  11. 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.
  12. 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.
  13. 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.
  14. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  15. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  16. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
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📜 许可与来源
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
模型
Lactic Acid · 50-21-5
InChIKey
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
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Lactic Acid (CAS 50-21-5) →
MolGod 分子记录
Lactic Acid →
源数据
PubChem CID 612 ↗
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由 MolGod 生成的 STL · MolGod STL Exporter build 48804cd20b0d · 生成于 2026-10-14
SHA-256 (STL)
74637ac0e0c14bbf36bebde3aef52c007ed5b6c0f3e4c014570d17cdeb54ddb5
MD5 (STL)
109d9ceaf792c7aca2f82b432f801e34
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MG_545-115-752-92
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