1-Octen-3-yl butyrate

Base Information

• Chemical Name: 1-Octen-3-yl butyrate
• CAS No.: 16491-54-6
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.3
• European Community (EC) Number: 240-555-8,605-367-6
• UNII: H8J989X4KJ
• DSSTox Substance ID: DTXSID80864682
• Nikkaji Number: J67.416H
• Wikidata: Q27279767
• Metabolomics Workbench ID: 47791
• Mol file: 16491-54-6.mol

Synonyms:1-Octen-3-yl butyrate;16491-54-6;oct-1-en-3-yl butanoate;1-Ethenylhexyl butanoate;1-Pentylallyl butyrate;Butanoic acid, 1-ethenylhexyl ester;1-Vinylhexyl butyrate;1-Octen-3-ol butyrate;Butyric acid, 1-pentylallyl ester;Disperse Yellow 184:1;FEMA No. 3612;164578-37-4;Amylvinylcarbinyl butyrate;BUTYRIC ACID, 1-VINYLHEXYL ESTER;Oct-1-en-3-yl butyrate;EINECS 240-555-8;BRN 1935498;UNII-H8J989X4KJ;1-Pentyl-2-propenyl butyrate;AI3-33187;H8J989X4KJ;C.I. Disperse Yellow 184:1;1-OCTEN-3-YL-BUTYRATE;Butanoic acid 1-octen-3-yl ester;GLYCERYLTRIMETHACRYLATE;SCHEMBL1171644;FEMA 3612;DTXSID80864682;CHEBI:169568;LMFA07010710;1-OCTEN-3-YL BUTYRATE [FCC];LS-3006;1-OCTEN-3-YL BUTYRATE [FHFI];(+/-)-1-OCTEN-3-YL BUTYRATE;1-OCTEN-3-YL BUTYRATE, (+/-)-;FT-0702067;Butyric acid, 1-pentylallyl ester (7CI,8CI);Q27279767;1-Octen-3-yl butyrate, >=97%, stabilized, FCC, FG

Chemical Property of 1-Octen-3-yl butyrate

Chemical Property:

• Appearance/Colour: solid or liquid
• Vapor Pressure: 0.0244mmHg at 25°C
• Melting Point: 225-229 °C(lit.)
• Refractive Index: n20/D 1.4295(lit.)
• Boiling Point: 248.4°Cat760mmHg
• Flash Point: 210℉
• PSA: 26.30000
• Density: 0.87g/mLat25℃(lit.)
• LogP: 3.46460
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

1-Octen-3-yl butyrate ≥97%, stabilized, FCC, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCC(C=C)OC(=O)CCC
• Description: 1-Octen-3-yl butyrate is a fatty acid ester. It is a colorless to pale yellow liquid with a pleasant mushroom, buttery odor.
• Uses: Used as a flavor and fragrance in mushroom flavors. In the food industry, it is utilized as a food flavoring agent.
• Other Uses: Acts as an acaricidal agent against mites such as Dermatophagoides farinae, D. pteronyssinus, and Tyrophagus putrescentiae. Its mode of action involves toxic effects on the targeted mites, making it useful for mite control.
• Production Methods: Produced through the Grignard reaction between amyl magnesium bromide and propylene alcohol, followed by esterification with n-butyric acid. Alternatively, it can be obtained by reducing the corresponding enone and esterifying with n-butyric acid.