Sodium Hexanoate - ≥99%(T) , CAS No.10051-44-2

CAS: 10051-44-2 Cat. No.: S161313 Molecular Weight: 138.14 EC Number: 233-179-0 PubChem CID: 4087444

GRADE & PURITY ≥99%(T)

Synonyms

MFCD00059056 | sodium capronate | n-Hexanoic acid sodium salt | sodium;hexanoate | Hexanoic acid sodium salt | HEXANOIC ACID, SODIUM SALT | D82015 | Sodium hexanoate, 99-100% | sodium n-caproate | SCHEMBL105514 | AKOS015839655 | HY-W099696 | Caproic acid

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00059056 | sodium capronate | n-Hexanoic acid sodium salt | sodium;hexanoate | Hexanoic acid sodium salt | HEXANOIC ACID, SODIUM SALT | D82015 | Sodium hexanoate, 99-100% | sodium n-caproate | SCHEMBL105514 | AKOS015839655 | HY-W099696 | Caproic acid

Specifications & Purity

≥99%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%(T)

Names and Identifiers

• Pubchem Sid: 488194679
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194679
• Canonical Smiles: CCCCCC(=O)[O-].[Na+]
• IUPAC Name: sodium;hexanoate
• InChIKey: UDWXLZLRRVQONG-UHFFFAOYSA-M
• INCHI: 1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1
• Isomeric SMILES: CCCCCC(=O)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 4087444
• Molecular Weight: 138.14
• Reaxy-Rn: 3631527

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: Medium-chain fatty acids
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Molecular Weight: 138.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 138.066 Da
• Monoisotopic Mass: 138.066 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 73.500
• 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: 2

XLogP3

References

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3. Dianqi Yang, Xuxu Li, Chenyu Zhang, Hong Liang, Xiaoqiang Ma.  (2024)  Bioproduction of Geranyl Esters by Integrating Microbial Biosynthesis and Enzymatic Conversion.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39437419] [10.1021/acs.jafc.4c07847]

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6. Yumeng Yang, Songyi Lin, Xinqi Du, Yuhao Qiu, Chunqing Ai, Yue Tang.  (2025)  Engineering waxy corn flour with sodium fatty acids: structural modifications and implications for diabetes management.  Food & Function,      [PMID:40464773] [10.1039/D4FO05114A]

7. Zheng Ge, Zitian Liu, Shuohui Dong, Xiang Zhao, Guangwei Yang, Ao Yu, Wei Guo, Xiang Zhang, Qunzheng Wu, Kexin Wang.  (2025)  High-Fat Diet Induces Senescence in ADSCs via CDK4 Ubiquitination-Mediated Cell Cycle Disruption, Contributing to Impaired Glucose Tolerance.  Molecular Metabolism,      [PMID:41319797] [10.1016/j.molmet.2025.102293]