3-Methoxybutyl isobutyrate

Base Information

• Chemical Name: 3-Methoxybutyl isobutyrate
• CAS No.: 72785-13-8
• Molecular Formula: C9H18 O3
• Molecular Weight: 174.23742
• European Community (EC) Number: 276-834-6
• NSC Number: 15654
• DSSTox Substance ID: DTXSID50868172
• Nikkaji Number: J318.826D
• Mol file: 72785-13-8.mol

Synonyms:3-Methoxybutyl isobutyrate;72785-13-8;Propanoic acid, 2-methyl-, 3-methoxybutyl ester;EINECS 276-834-6;DTXSID50868172;NSC15654;NSC 15654;NSC-15654;Propanoic acid, 3-methoxybutyl ester;2-Methylpropanoic acid 3-methoxybutyl ester

Chemical Property of 3-Methoxybutyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.176mmHg at 25°C
• Boiling Point: 212.2°C at 760 mmHg
• Flash Point: 70.3°C
• PSA: 35.53000
• Density: 0.928g/cm³
• LogP: 1.61060
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 174.125594432
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OCCC(C)OC