(E)-3-Hepten-1-yl isobutyrate

Base Information

• Chemical Name: (E)-3-Hepten-1-yl isobutyrate
• CAS No.: 67801-45-0
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.2753
• European Community (EC) Number: 267-166-6
• UNII: 80DQ93V6ZN
• DSSTox Substance ID: DTXSID10174867
• Nikkaji Number: J1.544.097J,J317.167A
• Wikidata: Q27269142
• Metabolomics Workbench ID: 45415

Synonyms:(E)-3-Hepten-1-yl isobutyrate;FEMA No. 3494;Hept-3-enyl isobutyrate;3-Heptenyl 2-methyl propanoate, (E)-;trans-3-heptenyl 2-methylpropanoate;trans-3-heptenyl isobutyrate;UNII-80DQ93V6ZN;trans-3-Heptenyl 2-methyl propanoate;80DQ93V6ZN;(E)-3-Heptenyl 2-methylpropanoate;EINECS 267-166-6;207801-32-9;[(E)-hept-3-enyl] 2-methylpropanoate;Propanoic acid, 2-methyl-, (3E)-3-heptenyl ester;Propanoic acid, 2-methyl-, (3E)-3-hepten-1-yl ester;trans-3-Heptenyl 2-methylpropanoate [FIFH];3-Heptenyl isobutyrate, trans-;Propanoic acid, 2-methyl-, 3-heptenyl ester;Propanoic acid, 2-methyl-, 3-hepten-1-yl ester;67801-45-0;hept - 3 - enyl isobutyrate;SCHEMBL4228073;SCHEMBL4228076;DTXSID10174867;CHEBI:172072;(3E)-3-heptenyl 2-methyl propanoate;3-Heptenyl 2-methylpropanoate, trans-;LS-2788;2-Methylpropionic acid 3-heptenyl ester;2-Methylpropanoic acid (E)-3-heptenyl ester;3-HEPTENYL 2-METHYL PROPANOATE, (3E)-;(3E)-HEPT-3-EN-1-YL 2-METHYLPROPANOATE;TRANS-3-HEPTENYL 2-METHYLPROPANOATE [FHFI];Q27269142

Chemical Property of (E)-3-Hepten-1-yl isobutyrate

Chemical Property:

• Vapor Pressure: 0.0613mmHg at 25°C
• Boiling Point: 231.8°C at 760 mmHg
• Flash Point: 79.5°C
• PSA: 26.30000
• Density: 0.887g/cm³
• LogP: 2.93200
• XLogP3: 3.5
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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