Sodium pentanoate - ≥97% , CAS No.6106-41-8

CAS: 6106-41-8 Cat. No.: S194180 Molecular Weight: 124.11 EC Number: 228-064-7 PubChem CID: 3669864

GRADE & PURITY ≥97%

Synonyms

Sodium n-pentanoate | SODIUM PENTANOATE 96+% | Valeric acid, sodium salt | SY115894 | Sodiumpentanoate | AS-58083 | Sodium n-valerate | MFCD00066205 | LHYPLJGBYPAQAK-UHFFFAOYSA-M | Q27277563 | SCHEMBL109106 | Sodium pentanoate | EN300-7417459 | F30B9E0OMQ

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Sodium n-pentanoate | SODIUM PENTANOATE 96+% | Valeric acid, sodium salt | SY115894 | Sodiumpentanoate | AS-58083 | Sodium n-valerate | MFCD00066205 | LHYPLJGBYPAQAK-UHFFFAOYSA-M | Q27277563 | SCHEMBL109106 | Sodium pentanoate | EN300-7417459 | F30B9E0OMQ

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488194502
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194502
• Canonical Smiles: CCCCC(=O)[O-].[Na+]
• IUPAC Name: sodium;pentanoate
• InChIKey: LHYPLJGBYPAQAK-UHFFFAOYSA-M
• INCHI: 1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
• Isomeric SMILES: CCCCC(=O)[O-].[Na+]
• PubChem CID: 3669864
• Molecular Weight: 124.11

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: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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 - Organic cation - 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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Associated Targets(non-human)

Carbonic anhydrase (69 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 124.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 124.05 Da
• Monoisotopic Mass: 124.05 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.400
• 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

1. Lukuan Li, Zhe Wang, Tong Wang, Nannan Zhou, Fang Qiao, Zhen-Yu Du, Mei-Ling Zhang.  (2025)  Valerate enhances flesh hardness by inhibiting muscle proliferation and differentiation in Nile tilapia (Oreochromis niloticus): An in vivo and in vitro study.  AQUACULTURE,      [PMID:] [10.1016/j.aquaculture.2025.742222]

2. Shirui Zhai, Yinyin Gao, Yiru Jiang, Yuwan Li, Qiuxia Fan, Shanshan Tie, Ying Wu, Shaobin Gu.  (2024)  Weizmannia coagulans BC99 affects valeric acid production via regulating gut microbiota to ameliorate inflammation and oxidative stress responses in Helicobacter pylori mice.  JOURNAL OF FOOD SCIENCE,      [PMID:39556495] [10.1111/1750-3841.17514]

3. Xiaoying Ma, Weibo Shi, Zhen Wang, Shujin Li, Rufei Ma, Weihao Zhu, Lin Wu, Xiaowei Feng, Bin Cong, Yingmin Li.  (2025)  Butyric acid and valeric acid attenuate stress-induced ferroptosis and depressive-like behaviors by suppressing hippocampal neuroinflammation.  Journal of Translational Medicine,      [PMID:40898211] [10.1186/s12967-025-06950-0]

4. 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]

5. Xue Yang, Xinke Li, Xuan Zhang, Lu Meng, Jiaqi Wang, Nan Zheng.  (2026)  Comparative evaluation of the short-chain fatty acids formate, propionate, and valerate on intestinal barrier maturation and bone development in neonatal mice.  Food & Function,      [PMID:] [10.1039/D5FO05394C]