2,4-Hexadienyl butyrate

Base Information

• Chemical Name: 2,4-Hexadienyl butyrate
• CAS No.: 16930-93-1
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.26
• European Community (EC) Number: 240-995-0
• UNII: JMK51YVZ8V
• DSSTox Substance ID: DTXSID20242061
• Nikkaji Number: J318.303C
• Wikidata: Q27281579
• Metabolomics Workbench ID: 4284
• Mol file: 16930-93-1.mol

Synonyms:2,4-Hexadienyl butyrate;Sorbyl butyrate;2,4-Hexadienol monobutyrate;FEMA no. 4133;2,4-Hexadienyl butyrate, (2E,4E)-;UNII-JMK51YVZ8V;2,4-Hexadienyl butyrate [FHFI];(E,E)-2,4-Hexadienyl butanoate;JMK51YVZ8V;Butanoic acid, 2,4-hexadienyl ester, (E,E)-;16930-93-1;95994-93-7;WE(6:2(2E,4E)/4:0);Butanoic acid, 2,4-hexadien-1-yl ester;SCHEMBL2146116;SCHEMBL15978102;DTXSID20242061;Butyric acid 2,4-hexadienyl ester;(2E,4E)-2,4-hexadienyl butyrate;LMFA07010639;(2E,4E)-hexa-2,4-dienyl butyrate;AKOS006274033;BUTANOIC ACID 2,4-HEXADIENYL ESTER;Butyric acid, 2,4-hexadienyl ester (8CI);Q27281579

Chemical Property of 2,4-Hexadienyl butyrate

Chemical Property:

• Vapor Pressure: 0.0759mmHg at 25°C
• Refractive Index: 1.4480 (estimate)
• Boiling Point: 227.8°Cat760mmHg
• Flash Point: 89.7°C
• PSA: 26.30000
• Density: 0.912g/cm³
• LogP: 2.46200
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

2,4-HEXADIENYL BUTYRATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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