(E)-Oct-2-enyl butyrate

Base Information

• Chemical Name: (E)-Oct-2-enyl butyrate
• CAS No.: 84642-60-4
• Molecular Formula: C12H22O2
• Molecular Weight: 198.3019
• European Community (EC) Number: 283-437-1
• UNII: KQY9P705GY
• DSSTox Substance ID: DTXSID901020149
• Nikkaji Number: J333.550J
• Wikidata: Q27282383
• Metabolomics Workbench ID: 4248
• Mol file: 84642-60-4.mol

Synonyms:(E)-Oct-2-enyl butyrate;84642-60-4;[(E)-oct-2-enyl] butanoate;FEMA No. 3517;(E)-2-Octenyl butyrate;trans-2-Octen-1-yl butanoate;2-Octen-1-yl butyrate, (2E)-;UNII-KQY9P705GY;KQY9P705GY;2-Octenyl butanoate, (E)-;Butanoic acid, 2-octenyl ester, (E)-;2-Octen-1-yl butyrate, trans-;FEMA 3517;EINECS 283-437-1;(E)-2-octen-1-yl butyrate;Butanoic acid, (2E)-2-octenyl ester;Butanoic acid,(2E)-2-octen-1-yl ester;WE(8:1(2E)/4:0);SCHEMBL808488;SCHEMBL808490;(2E)-2-octen-1-yl butyrate;CHEBI:179191;DTXSID901020149;Butanoic acid (E)-2-octenyl ester;Butanoic acid 2-octenyl ester (E);LMFA07010603;AKOS006294202;2-OCTEN-1-YL BUTYRATE, (E)-;TRANS-2-OCTEN-1-YL BUTANOATE [FHFI];BUTANOIC ACID, (2E)-2-OCTEN-1-YL ESTER;Q27282383

Chemical Property of (E)-Oct-2-enyl butyrate

Chemical Property:

• Vapor Pressure: 0.0158mmHg at 25°C
• Refractive Index: 1.444
• Boiling Point: 256 °C at 760mmHg
• Flash Point: 86.5 °C
• PSA: 26.30000
• Density: 0.886 g/cm³
• LogP: 3.46620
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

(2E)-OCT-2-EN-1-YL BUTANOATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CCOC(=O)CCC
• Isomeric SMILES: CCCCC/C=C/COC(=O)CCC