Pentyl 3-(3-methylbutoxy)butyrate

Base Information

• Chemical Name: Pentyl 3-(3-methylbutoxy)butyrate
• CAS No.: 94231-94-4
• Molecular Formula: C14H28O3
• Molecular Weight: 244.3703
• European Community (EC) Number: 303-917-7
• DSSTox Substance ID: DTXSID30916004
• Nikkaji Number: J382.610D
• Mol file: 94231-94-4.mol

Synonyms:Pentyl 3-(3-methylbutoxy)butyrate;94231-94-4;EINECS 303-917-7;pentyl 3-(3-methylbutoxy)butanoate;DTXSID30916004;3-(3-Methylbutoxy)butanoic acid pentyl ester;Butanoic acid, 3-(3-methylbutoxy)-, pentyl ester

Chemical Property of Pentyl 3-(3-methylbutoxy)butyrate

Chemical Property:

• Vapor Pressure: 0.000601mmHg at 25°C
• Boiling Point: 310.4°Cat760mmHg
• Flash Point: 108.9°C
• PSA: 35.53000
• Density: 0.904g/cm³
• LogP: 3.56110
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 244.20384475
• Heavy Atom Count: 17
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC(=O)CC(C)OCCC(C)C