1,1,5-Trimethylheptyl butyrate

Base Information

• Chemical Name: 1,1,5-Trimethylheptyl butyrate
• CAS No.: 96846-75-2
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.37092
• European Community (EC) Number: 306-311-0
• DSSTox Substance ID: DTXSID70914281
• Nikkaji Number: J333.676J
• Mol file: 96846-75-2.mol

Synonyms:1,1,5-Trimethylheptyl butyrate;96846-75-2;EINECS 306-311-0;2,6-dimethyloctan-2-yl butanoate;DTXSID70914281;Butanoic acid 1,1,5-trimethylheptyl ester

Chemical Property of 1,1,5-Trimethylheptyl butyrate

Chemical Property:

• Vapor Pressure: 0.0267mmHg at 25°C
• Boiling Point: 246.7°Cat760mmHg
• Flash Point: 106.2°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 4.32470
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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