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

CAS: 10051-44-2 Cat. No.: S161313 Peso molecular: 138.14 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥99%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%(T)

Nombres e identificadores

• Pubchem Sid: 488194679
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194679
• Sonrisas canónicas: 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
• Isómeros SMILES: CCCCCC(=O)[O-].[Na+]
• WGK Alemania: 3
• PubChem CID: 4087444
• Peso molecular: 138.14
• Reaxy-Rn: 3631527

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 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

Referencias

1. Huihui Wang, Xiaojiao Zheng, Jiadong Wang, Shu Qin, Jindong Li, Yanli Qi, Xiaowen Wang, Xu Jing.  (2023)  Switchable hydrophilicity solvent-based microextraction coupled with fluorescent detection of dichlorvos.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105165]

2. Han Jia, Shaoyan Wang, Yingbiao Xu, Tingyi Wang, Lingyu Zhang, Jinyong Song, Xuehao Zhang, Lin Song, Haidong Jia, Hui Yan.  (2021)  Systematic investigation on the abnormal surface and interfacial activity of fatty acid ionic liquids.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.127902]

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]

4. Zixuan Zheng, John Lou Yao, Qiang Yao.  (2024)  Thermal degradation of polyamide 66 and its model compound.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2024.110909]

5. Xu Jing, Xiaoyu Cheng, Wenfei Zhao, Huihui Wang, Xiaowen Wang.  (2020)  Magnetic effervescence tablet-assisted switchable hydrophilicity solvent-based liquid phase microextraction of triazine herbicides in water samples.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.112934]

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]