1,3-Dimethylbutyl cyclopentanecarboxylate

Base Information

• Chemical Name: 1,3-Dimethylbutyl cyclopentanecarboxylate
• CAS No.: 94231-51-3
• Molecular Formula: C12H22O2
• Molecular Weight: 198.30188
• European Community (EC) Number: 303-869-7
• DSSTox Substance ID: DTXSID50916021
• Nikkaji Number: J382.571J
• Mol file: 94231-51-3.mol

Synonyms:1,3-Dimethylbutyl cyclopentanecarboxylate;94231-51-3;EINECS 303-869-7;4-methylpentan-2-yl cyclopentanecarboxylate;DTXSID50916021;Cyclopentanecarboxylic acid 1,3-dimethylbutyl ester;Cyclopentanecarboxylic acid, 1,3-dimethylbutyl ester

Chemical Property of 1,3-Dimethylbutyl cyclopentanecarboxylate

Chemical Property:

• Vapor Pressure: 0.08mmHg at 25°C
• Boiling Point: 226.9°C at 760 mmHg
• Flash Point: 93.3°C
• PSA: 26.30000
• Density: 0.946g/cm³
• LogP: 3.15440
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)OC(=O)C1CCCC1