Vinyl n-Octanoate (stabilized with MEHQ) - ≥99%(GC) , CAS No.818-44-0

CAS: 818-44-0 Cat. No.: V162947 Molecular Weight: 170.25 EC Number: 212-452-8 PubChem CID: 13164

GRADE & PURITY ≥99%(GC)

Synonyms

NSC 32643 | n-Caprylic acid vinyl ester | Vinyl n-Octanoate | ethenyl octanoate | octanoic acid vinyl ester | Octanoic acid, ethenyl ester | HY-W106466 | QBDADGJLZNIRFQ-UHFFFAOYSA-N | DTXSID00231372 | NSC32643 | NSC-32643 | VINYLN-OCTANOATE | Vinyln-Octan

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NSC 32643 | n-Caprylic acid vinyl ester | Vinyl n-Octanoate | ethenyl octanoate | octanoic acid vinyl ester | Octanoic acid, ethenyl ester | HY-W106466 | QBDADGJLZNIRFQ-UHFFFAOYSA-N | DTXSID00231372 | NSC32643 | NSC-32643 | VINYLN-OCTANOATE | Vinyln-Octan

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488181803
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181803
• Canonical Smiles: CCCCCCCC(=O)OC=C
• IUPAC Name: ethenyl octanoate
• InChIKey: QBDADGJLZNIRFQ-UHFFFAOYSA-N
• INCHI: 1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h4H,2-3,5-9H2,1H3
• Isomeric SMILES: CCCCCCCC(=O)OC=C
• RTECS: RH0789000
• PubChem CID: 13164
• Molecular Weight: 170.25
• Reaxy-Rn: 1764340

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Enol esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Enol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• Solubility: Soluble in Methanol
• Refractive Index: 1.43
• Flash Point(°F): 75°C(lit.)
• Flash Point(°C): 75°C(lit.)
• Boil Point(°C): 135°C/100mmHg(lit.)
• Molecular Weight: 170.250 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• 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: 1

References

1. Dami Li, Yaoyao Zhang, Xing Qiao, Shangde Sun.  (2025)  Effects of substitution sites and acyl chain length on antioxidant capacity and bioaccessibility of high-active resveratrol monoesters in vitro.  FOOD CHEMISTRY,      [PMID:40112713] [10.1016/j.foodchem.2025.143845]

2. Mengli Geng, Dandan Ma, Zhaojun Wang, Qiuming Chen, Maomao Zeng, Jie Chen, Benu Adhikari, Hongyang Pan, Zhiyong He.  (2026)  Enzymatically synthesized kaempferol fatty acid esters enhance glycolipid metabolism regulation and α-glucosidase inhibition.  FOOD RESEARCH INTERNATIONAL,      [PMID:] [10.1016/j.foodres.2026.118422]