2-Hydroxybutyric acid sodium salt - ≥97% , CAS No.5094-24-6

CAS: 5094-24-6 Cat. No.: H101414 Molecular Weight: 126.09 Beilstein Registry Number: 3(3)562 EC Number: 225-812-4

GRADE & PURITY ≥97%

Synonyms

DL-2-Hydroxybutyric Acid Sodium Salt | HY-W012790 | UNII-TF4710DNP9 | SCHEMBL310875 | FT-0635538 | AKOS015903019 | DTXSID70940621 | BUTANOIC ACID, 2-HYDROXY-, MONOSODIUM SALT, (+/-)- | MOSCXNXKSOHVSQ-UHFFFAOYSA-M | BUTANOIC ACID, 2-HYDROXY-, SODIUM SALT (

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Usually used in gas chromatographic (GC) method for the indirect enantioresolution of 2- and 3-hydroxy fatty acids.

Specifications

Synonyms

DL-2-Hydroxybutyric Acid Sodium Salt | HY-W012790 | UNII-TF4710DNP9 | SCHEMBL310875 | FT-0635538 | AKOS015903019 | DTXSID70940621 | BUTANOIC ACID, 2-HYDROXY-, MONOSODIUM SALT, (+/-)- | MOSCXNXKSOHVSQ-UHFFFAOYSA-M | BUTANOIC ACID, 2-HYDROXY-, SODIUM SALT (

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200388
• Canonical Smiles: CCC(C(=O)[O-])O.[Na+]
• IUPAC Name: sodium;2-hydroxybutanoate
• InChIKey: MOSCXNXKSOHVSQ-UHFFFAOYSA-M
• INCHI: 1S/C4H8O3.Na/c1-2-3(5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
• Isomeric SMILES: CCC(C(=O)[O-])O.[Na+]
• WGK Germany: 3
• Molecular Weight: 126.09
• Beilstein: 3(3)562
• Reaxy-Rn: 4825104
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4825104&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: Fatty acids and conjugates
• Alternative Parents: Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - Carboxylic acid salt - Secondary alcohol - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic sodium salt - Organic oxygen compound - Organic salt - Organic zwitterion - Organooxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms).
• External Descriptors: Not available

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: ≥12.65 mg/mL in DMSO; ≥8.27 mg/mL in EtOH with ultrasonic; ≥8.75 mg/mL in H2O
• Sensitivity: Moisture sensitive
• Melt Point(°C): 133-135°C
• Molecular Weight: 126.090 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 126.029 Da
• Monoisotopic Mass: 126.029 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 73.700
• 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: 2

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