3-Hexenyl isovalerate, (3E)-

Base Information

• Chemical Name: 3-Hexenyl isovalerate, (3E)-
• CAS No.: 10032-11-8
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.28
• UNII: 36742BAP40
• Nikkaji Number: J241.238A,J2.310.910G
• Wikidata: Q27256537
• Mol file: 10032-11-8.mol

Synonyms:3-Hexenyl isovalerate, (3E)-;3-Hexenyl 3-methylbutanoate, (3E)-;36742BAP40;UNII-36742BAP40;Butanoic acid, 3-methyl-, (3E)-3-hexenyl ester;Butanoic acid, 3-methyl-, 3-hexenyl ester, (E)-;Butanoic acid, 3-methyl-, (3E)-3-hexen-1-yl ester;3-Hexenyl isovalerate;88296-26-8;Butanoic acid, 3-methyl-, 3-hexen-1-yl ester;[(E)-hex-3-enyl] 3-methylbutanoate;Butanoic acid, 3-methyl-, 3-hexenyl ester;cis-3-Hexenyl 3-methylbutanoate;FEMA 3498;Butanoic acid, 4-methyl-, 3-hexenyl ester;(3E)-hexenyl isovalerate;(E)-3-hexenyl isovalerate;trans-3-hexenyl isovalerate;hex-3-enyl 3-methylbutyrate;(3E)-3-hexenyl isovalerate;(E)-3-hexenyl isopentanoate;(E)-hex-3-enyl isovalerate;trans-3-hexenyl isopentanoate;trans-hex-3-enyl isovalerate;SCHEMBL573192;(3E)-hex-3-enyl isovalerate;SCHEMBL8580784;isovaleric acid 3-hexenyl ester;(E)-3-hexen-1-yl isovalerate;(3E)-hexenyl 3-methyl butyrate;(E)-3-hexenyl 3-methylbutyrate;trans-3-hexenyl 3-methylbutyrate;(E)-3-hexenyl 3-methylbutanoate;CHEBI:194237;CHEBI:194238;trans-3-hexenyl 3-methylbutanoate;(E)-hex-3-enyl 3-methylbutyrate;hex-3-en-1-yl 3-methylbutanoate;trans-hex-3-enyl 3-methylbutyrate;(3E)-3-hexenyl 3-methylbutanoate;(E)-hex-3-enyl 3-methylbutanoate;trans-hex-3-enyl 3-methylbutanoate;(3E)-hex-3-enyl 3-methylbutyrate;3-Methylbutyric acid 3-hexenyl ester;isovaleric acid trans-3-hexenyl ester;(Z)-3-hexen-1-yl 3-methylbutanoate;3-methylbutanoic acid 3-hexenyl ester;AKOS015903396;(E)-hex-3-en-1-yl 3-methylbutanoate;3-methylbutanoic acid 3-hexen-1-yl ester;3-Methylbutyric acid (E)-3-hexenyl ester;3-methylbutanoic acid (E)-3-hexenyl ester;(3E)-HEX-3-EN-1-YL 3-METHYLBUTANOATE;3-methylbutanoic acid (3E)-3-hexen-1-yl ester;Q27256537

Chemical Property of 3-Hexenyl isovalerate, (3E)-

Chemical Property:

• Vapor Pressure: 0.0613mmHg at 25°C
• Refractive Index: n20/D 1.432(lit.)
• Boiling Point: 231.8°C at 760 mmHg
• Flash Point: 79.5°C
• PSA: 26.30000
• Density: 0.887g/cm³
• LogP: 2.93200
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCCOC(=O)CC(C)C
• Isomeric SMILES: CC/C=C/CCOC(=O)CC(C)C
• Description: 3-Hexenyl isovalerate has a powerful, sweet, green odor of apple and a buttery, apple-like taste. This substance may be synthesized by esterification of ds-3-hexenol with isovaleric acid.