Sorbyl isobutyrate

Base Information

• Chemical Name: Sorbyl isobutyrate
• CAS No.: 16491-24-0
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.26
• Hs Code.: 2915900090
• European Community (EC) Number: 240-551-6
• NSC Number: 195147
• Mol file: 16491-24-0.mol

Synonyms:Propanoic acid, 2,4-hexadienyl ester;Sorbyl isobutyrate;[(2Z,4E)-hexa-2,4-dienyl] 2-methylpropanoate;16491-24-0;hexa - 2,4 - dienyl isobutyrate;NSC-195147;SCHEMBL3507242;Isobutyric acid,4-hexadienyl ester;NSC195147

Chemical Property of Sorbyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Refractive Index: 1.4480 (estimate)
• Boiling Point: 221.9°Cat760mmHg
• Flash Point: 85.5°C
• PSA: 26.30000
• Density: 0.91g/cm³
• LogP: 2.31790
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50
• Safety Statements: 61

MSDS Files:

Useful:

• Canonical SMILES: CC=CC=CCOC(=O)C(C)C
• Isomeric SMILES: C/C=C/C=C\COC(=O)C(C)C