trans-2-Hexenyl 2-methylbutyrate

Base Information

• Chemical Name: trans-2-Hexenyl 2-methylbutyrate
• CAS No.: 94089-01-7
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.2753
• European Community (EC) Number: 302-103-9
• UNII: K6390PB417
• DSSTox Substance ID: DTXSID501292148
• Nikkaji Number: J288.578F,J1.669.450I
• Wikidata: Q27282000
• Metabolomics Workbench ID: 45583
• Mol file: 94089-01-7.mol

Synonyms:TRANS-2-HEXENYL 2-METHYLBUTYRATE;94089-01-7;[(E)-hex-2-enyl] 2-methylbutanoate;(E)-2-Hexenyl 2-methylbutyrate;trans-2-Hexenyl 2-methylbutanoate;(E)-Hex-2-enyl 2-methylbutyrate;2-Hexenyl 2-methylbutyrate, (2E)-;UNII-K6390PB417;EINECS 302-103-9;K6390PB417;(2E)-HEX-2-EN-1-YL 2-METHYLBUTANOATE;Butanoic acid, 2-methyl-, (2E)-2-hexenyl ester;SCHEMBL3505963;FEMA NO. 4274;SCHEMBL18055666;CHEBI:172044;SXJKRFLZGRFPBD-BQYQJAHWSA-N;(2E)-2-hexenyl 2-methylbutyrate;DTXSID501292148;trans-2-Hexenyl 2-methyl butyrate;LMFA07011028;2-Methylbutyric acid 2-hexenyl ester;(E)-2-Hexene-1-ol 2-methylbutyrate;(E)-2-hexen-1-yl 2-methyl butyrate;(2E)-2-Hexen-1-yl 2-methylbutanoate;2-HEXENYL 2-METHYLBUTYRATE, TRANS-;TRANS-2-HEXENYL 2-METHYLBUTYRATE [FHFI];(E)-2-HEXENYL 2-METHYLBUTYRATE, (+/-)-;Q27282000;BUTANOIC ACID, 2-METHYL-, 2-HEXENYL ESTER, (E)-;BUTANOIC ACID, 2-METHYL-, (2E)-2-HEXEN-1-YL ESTER

Chemical Property of trans-2-Hexenyl 2-methylbutyrate

Chemical Property:

• Vapor Pressure: 0.0621mmHg at 25°C
• Boiling Point: 231.5°Cat760mmHg
• Flash Point: 79.4°C
• PSA: 26.30000
• Density: 0.887g/cm³
• LogP: 2.93200
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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