1-Methyl-2-oxopropyl butyrate

Base Information

• Chemical Name: 1-Methyl-2-oxopropyl butyrate
• CAS No.: 84642-61-5
• Molecular Formula: C8H14O3
• Molecular Weight: 158.19
• European Community (EC) Number: 283-438-7
• UNII: SEN8DCI58L
• DSSTox Substance ID: DTXSID601305714
• Nikkaji Number: J333.551H
• Wikidata: Q27289165
• Metabolomics Workbench ID: 47285
• Mol file: 84642-61-5.mol

Synonyms:1-Methyl-2-oxopropyl butyrate;Butan-3-one-2-yl butanoate;84642-61-5;Acetoyl butyrate;3-oxobutan-2-yl butanoate;1-Methyl-2-oxopropyl butanoate;Acetoin butanoate;FEMA No. 3332;Butanoic acid, 1-methyl-2-oxopropyl ester;UNII-SEN8DCI58L;SEN8DCI58L;EINECS 283-438-7;Butan-3-one-2-yl butanoate (natural);Butanoic acid,1-methyl-2-oxopropyl ester;2-Ketobutan-3-yl butanoate;3-(butanoyloxy)-2-butanone;SCHEMBL3857221;FEMA 3332;CHEBI:173671;DTXSID601305714;LMFA07010711;AKOS015951114;LS-2591;Butanoic acid 1-methyl-2-oxopropyl ester;BUTAN-3-ONE-2-YL BUTANOATE [FCC];BUTAN-3-ONE-2-YL BUTANOATE [FHFI];Butan-3-one-2-yl butanoate, >=98%, FCC;Butan-3-one-2-yl butanoate, >=98%, FCC, FG;Q27289165

Chemical Property of 1-Methyl-2-oxopropyl butyrate

Chemical Property:

• Vapor Pressure: 0.236mmHg at 25°C
• Refractive Index: n20/D 1.4185(lit.)
• Boiling Point: 206.5 °C at 760 mmHg
• Flash Point: 81.7 °C
• PSA: 43.37000
• Density: 0.979 g/cm³
• LogP: 1.30720
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

Butan-3-one-2-yl butanoate ≥98%, FCC, FG ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)OC(C)C(=O)C
• Uses: 1-Methyl-2-oxopropyl butyrate, as a fatty acid ester, finds wide applications in fragrance, solvent, and synthetic intermediate industries.