2-Hydroxy-3-methylbutyric acid - 10mM in DMSO , CAS No.4026-18-0

CAS: 4026-18-0 Cat. No.: H423841 Molecular Weight: 118.13 EC Number: 223-697-5

GRADE & PURITY 10mM in DMSO

Synonyms

AMY22056 | BCP33333 | NSC 227884 | (1)-2-Hydroxy-3-methylbutyric acid | 2-Hydroxy-3-methylbutanoicacid | 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl)ethan-1-one | 1C75676F8V | AKOS000278106 | AKOS016182980 | DL-2-Hydroxy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Chiral resolution of 2-hydroxy-3-methylbutyric acid without derivatization has been studied by capillary electrophoresis using 2-hydroxypropyl-β-cyclodextrin.
2-Hydroxy-3-methylbutyric acid was employed as internal standard for analysis of ethylene glycol (EG) and γ-hydroxybutyrate (GHB) in whole blood.

Specifications

Synonyms

AMY22056 | BCP33333 | NSC 227884 | (1)-2-Hydroxy-3-methylbutyric acid | 2-Hydroxy-3-methylbutanoicacid | 1-(4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-3, 6-dihydropyridin-1(2H)-yl)ethan-1-one | 1C75676F8V | AKOS000278106 | AKOS016182980 | DL-2-Hydroxy

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)O)O
• IUPAC Name: 2-hydroxy-3-methylbutanoic acid
• InChIKey: NGEWQZIDQIYUNV-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
• Isomeric SMILES: CC(C)C(C(=O)O)O
• WGK Germany: 3
• Molecular Weight: 118.13
• Reaxy-Rn: 1721138
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721138&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxy fatty acids
• Alternative Parents: Methyl-branched fatty acids Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Alpha-hydroxy acid - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic acyclic compound
• Description: 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: 2-hydroxy monocarboxylic acid

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

Associated Targets(non-human)

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 82-84℃
• Molecular Weight: 118.130 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 87.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Dongqing Li, Zhaohui Chen, En Zhao, Yanmei Zheng, Lin Dong, Wenjun Zhang, Zupeng Chen.  (2025)  Efficient photocatalytic conversion of biomass-derived hydroxyl acids to amino acids over Ni/CdS.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41240565] [10.1016/j.jcis.2025.139400]