1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate

Base Information

• Chemical Name: 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate
• CAS No.: 85508-23-2
• Molecular Formula: C12H24 O3
• Molecular Weight: 216.31716
• European Community (EC) Number: 287-448-2
• DSSTox Substance ID: DTXSID701006068
• Nikkaji Number: J310.594F
• Mol file: 85508-23-2.mol

Synonyms:85508-23-2;EINECS 287-448-2;1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate;DTXSID701006068;1-HYDROXY-2,2-DIMETHYLHEXAN-3-YL BUTANOATE;Butanoic acid 1-(2-hydroxy-1,1-dimethylethyl)butyl ester

Chemical Property of 1-(2-Hydroxy-1,1-dimethylethyl)butyl butyrate

Chemical Property:

• Vapor Pressure: 0.00201mmHg at 25°C
• Boiling Point: 258.6°C at 760 mmHg
• Flash Point: 90.7°C
• PSA: 46.53000
• Density: 0.948g/cm³
• LogP: 2.51690
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 216.17254462
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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