1,1,5-Trimethylheptyl isovalerate

Base Information

• Chemical Name: 1,1,5-Trimethylheptyl isovalerate
• CAS No.: 96846-72-9
• Molecular Formula: C15H30 O2
• Molecular Weight: 242.3975
• European Community (EC) Number: 306-307-9
• DSSTox Substance ID: DTXSID50914284
• Nikkaji Number: J333.673E
• Mol file: 96846-72-9.mol

Synonyms:1,1,5-Trimethylheptyl isovalerate;EINECS 306-307-9;96846-72-9;2,6-dimethyloctan-2-yl 3-methylbutanoate;DTXSID50914284;3-Methylbutanoic acid 1,1,5-trimethylheptyl ester

Chemical Property of 1,1,5-Trimethylheptyl isovalerate

Chemical Property:

• Vapor Pressure: 0.0169mmHg at 25°C
• Boiling Point: 254.8°C at 760 mmHg
• Flash Point: 112.8°C
• PSA: 26.30000
• Density: 0.864g/cm³
• LogP: 4.57070
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 219

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)CC(C)C