TRANS-2-HEXENYL VALERATE

Base Information

• Chemical Name: TRANS-2-HEXENYL VALERATE
• CAS No.: 56922-74-8
• Molecular Formula: C11H20O2
• Molecular Weight: 184.28
• European Community (EC) Number: 260-439-0
• UNII: NQO2JJ740G
• DSSTox Substance ID: DTXSID40886209
• Nikkaji Number: J118.161K,J184.193I
• Wikidata: Q27284998
• Metabolomics Workbench ID: 48140

Synonyms:Pentanoicacid, (2E)-2-hexenyl ester (9CI);Pentanoic acid, 2-hexenyl ester, (E)-;trans-2-Hexenyl pentanoate;trans-2-Hexenyl valerate;(2E)-Hex-2-en-1-yl pentanoate;

Chemical Property of TRANS-2-HEXENYL VALERATE

Chemical Property:

• Appearance/Colour: Colorless clear liquid
• Vapor Pressure: 0.0464mmHg at 25°C
• Refractive Index: 1.442
• Boiling Point: 236.8 °C at 760 mmHg
• Flash Point: 83.1 °C
• PSA: 26.30000
• Density: 0.889 g/cm³
• LogP: 3.07610
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

trans-2-Hexenyl Valerate >94.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCC=CCCC
• Isomeric SMILES: CCCCC(=O)OC/C=C/CCC

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