1,1,5-Trimethylheptyl isobutyrate

Base Information

• Chemical Name: 1,1,5-Trimethylheptyl isobutyrate
• CAS No.: 96846-74-1
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.37092
• European Community (EC) Number: 306-310-5
• DSSTox Substance ID: DTXSID30914282
• Nikkaji Number: J333.675A
• Mol file: 96846-74-1.mol

Synonyms:1,1,5-Trimethylheptyl isobutyrate;EINECS 306-310-5;96846-74-1;2,6-dimethyloctan-2-yl 2-methylpropanoate;DTXSID30914282;2-Methylpropanoic acid 1,1,5-trimethylheptyl ester

Chemical Property of 1,1,5-Trimethylheptyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.0435mmHg at 25°C
• Boiling Point: 238°Cat760mmHg
• Flash Point: 101.8°C
• PSA: 26.30000
• Density: 0.865g/cm³
• LogP: 4.18060
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCCC(C)(C)OC(=O)C(C)C