3-Hexenyl isobutyrate

Base Information

• Chemical Name: 3-Hexenyl isobutyrate
• CAS No.: 84682-20-2
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• European Community (EC) Number: 260-993-3,283-582-0
• DSSTox Substance ID: DTXSID001291757
• Nikkaji Number: J183.044I,J296.813D
• Wikidata: Q63398455
• Mol file: 84682-20-2.mol

Synonyms:3-Hexenyl isobutyrate;84682-20-2;(E)-Hex-3-enyl isobutyrate;[(E)-hex-3-enyl] 2-methylpropanoate;EINECS 283-582-0;57859-47-9;SCHEMBL112643;OSMAJVWUIUORGC-AATRIKPKSA-N;3-Hexene-1-ol 2-methylpropanoate;DTXSID001291757;TRANS-3-HEXENYL ISOBUTYRATE;Isobutyric acid (E)-3-hexenyl ester;(E) - hex - 3 - enyl isobutyrate;AKOS015903325;(3E)-3-Hexen-1-yl 2-methylpropanoate;Propanoic acid, 2-methyl-, 3-hexenyl ester, (E)-;Q63398455

Chemical Property of 3-Hexenyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.182mmHg at 25°C
• Boiling Point: 211.5°C at 760 mmHg
• Flash Point: 75°C
• PSA: 26.30000
• Density: 0.891g/cm³
• LogP: 2.54190
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC=CCCOC(=O)C(C)C
• Isomeric SMILES: CC/C=C/CCOC(=O)C(C)C

Technology Process of 3-Hexenyl isobutyrate

There total 1 articles about 3-Hexenyl isobutyrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(Z)-3-Hexen-1-ol (928-96-1) + isobutyric Acid (79-31-2) → isobutyric acid hex-3-enyl ester (84682-20-2)

Guidance literature:

With sulfuric acid;

upstream raw materials:

(Z)-3-Hexen-1-ol

isobutyric Acid