3,5,5-Trimethylhexyl isobutyrate

Base Information

• Chemical Name: 3,5,5-Trimethylhexyl isobutyrate
• CAS No.: 67785-66-4
• Molecular Formula: C13H26O2
• Molecular Weight: 214.3443
• DSSTox Substance ID: DTXSID70886878
• Nikkaji Number: J429.617F
• Mol file: 67785-66-4.mol

Synonyms:3,5,5-Trimethylhexyl isobutyrate;67785-66-4;Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester;SCHEMBL3289278;DTXSID70886878;2-Methylpropanoic acid 3,5,5-trimethylhexyl ester

Chemical Property of 3,5,5-Trimethylhexyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.112mmHg at 25°C
• Boiling Point: 220.5°Cat760mmHg
• Flash Point: 90.5°C
• PSA: 0.00000
• Density: 0.866g/cm³
• LogP: 0.00000
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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