2-Ethyl-2-hydroxybutyric acid - ≥99% , CAS No.3639-21-2

CAS: 3639-21-2 Cat. No.: E474701 分子式: C₆H₁₂O₃ 分子量: 132.16 EC番号: 222-867-6

GRADE & PURITY ≥99%

Synonyms

SB84203 | HBPyU?O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate | 2-Ethyl-2-Hydroxybutyrate | AS-60390 | 2-Ethyl-2-hydroxybutanoic acid # | FT-0612236 | LMFA01050387 | 2-Ethyl-2-hydroxybutyric acid | 2-Ethyl-2-hydroxy-butyri

Storage

Room temperature

概要

​2-Ethyl-2-hydroxybutyric acid forms 99mTc complexes.

Application：

2-Ethyl-2-hydroxybutyric acid was used as internal standard during quantification of medium-chain-length bacterial poly(3-hydroxyalkanoate) by gas chromatography. It was us

Specifications

同義語

SB84203 | HBPyU?O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate | 2-Ethyl-2-Hydroxybutyrate | AS-60390 | 2-Ethyl-2-hydroxybutanoic acid # | FT-0612236 | LMFA01050387 | 2-Ethyl-2-hydroxybutyric acid | 2-Ethyl-2-hydroxy-butyri

仕様と純度

≥99%

保管条件

Room temperature

純度

≥99%

名前と識別子

• パブケム・シド: 504755153
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755153
• カノニカル・スマイル: CCC(CC)(C(=O)O)O
• IUPAC Name: 2-ethyl-2-hydroxybutanoic acid
• InChIKey: LXVSANCQXSSLPA-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
• 異性体SMILES: CCC(CC)(C(=O)O)O
• WGKドイツ: 3
• 分子量: 132.16
• Reaxy-Rn: 1702420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702420&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy fatty acids
• Alternative Parents: Branched fatty acids Alpha hydroxy acids and derivatives Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydroxy fatty acid - Branched fatty acid - Hydroxy acid - Alpha-hydroxy acid - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group.
• External Descriptors: Hydroxy fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 融点（°C）: 79-82 °C
• 分子量: 132.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Liang Zhou, Jie Zhou, Yicen Dong, Yangjie Wu, Zhangying Xi, Zixuan Lu, Juying Lei, Jinlong Zhang, Yongdi Liu.  (2024)  Insight on photocatalytic synchronous oxidation and reduction for pollutant removal: Chemical energy conversion between macromolecular organic pollutants and heavy metal.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39038377] [10.1016/j.jhazmat.2024.135236]

2. Dashi Lei, Yiyao Zhang, Xiaofei Sun, Liqin Li, Qingchao Zhao, Xiangyu Peng, Juanqin Xue, Yubin Wang, Jing Zhang.  (2025)  Sulfite-Induced Release and Oxidation of Cr(III) in Reduced Chromite Ore Processing Residue under Visible Light: The Critical Role of Fe(IV) Intermediates.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40078112] [10.1021/acs.est.4c12557]

3. Yijin Yuan, Qi Tian, Longzhu Hou, Richuan Rao, Chengli Yao, Haoyan Zhu.  (2024)  The self-boosting ultrafast removal of Cr(VI) and organic dye in textile wastewater through sulfite-induced redox processes.  ENVIRONMENTAL POLLUTION,      [PMID:38776997] [10.1016/j.envpol.2024.124182]

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3639-21-2, the molecular formula is C6H12O3, and the molecular weight is 132.16 g/mol. InChIKey LXVSANCQXSSLPA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.