Butyl 4,4-dimethyl-3-oxovalerate

Base Information

• Chemical Name: Butyl 4,4-dimethyl-3-oxovalerate
• CAS No.: 85614-42-2
• Molecular Formula: C11H20 O3
• Molecular Weight: 200.2747
• European Community (EC) Number: 287-928-1
• DSSTox Substance ID: DTXSID40234842
• Nikkaji Number: J333.905J
• Wikidata: Q83116691
• Mol file: 85614-42-2.mol

Synonyms:Butyl 4,4-dimethyl-3-oxovalerate;85614-42-2;EINECS 287-928-1;DTXSID40234842;4,4-Dimethyl-3-oxopentanoic acid butyl ester

Chemical Property of Butyl 4,4-dimethyl-3-oxovalerate

Chemical Property:

• Vapor Pressure: 0.076mmHg at 25°C
• Boiling Point: 227.8°C at 760 mmHg
• Flash Point: 88.3°C
• PSA: 43.37000
• Density: 0.95g/cm³
• LogP: 2.33500
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 200.14124450
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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