Undecenoic acid, 3-methylbutyl ester

Base Information

• Chemical Name: Undecenoic acid, 3-methylbutyl ester
• CAS No.: 12262-03-2
• Molecular Formula: C16 H32 O2
• Molecular Weight: 254.41
• European Community (EC) Number: 235-514-6
• DSSTox Substance ID: DTXSID50864331
• Mol file: 12262-03-2.mol

Synonyms:3-Methylbutyl undec-6-enoate;Undecenoic acid, 3-methylbutyl ester;12262-03-2;DTXSID50864331

Chemical Property of Undecenoic acid, 3-methylbutyl ester

Chemical Property:

• Vapor Pressure: 0.000348mmHg at 25°C
• Boiling Point: 319°Cat760mmHg
• Flash Point: 89.1°C
• PSA: 26.30000
• Density: 0.876g/cm³
• LogP: 4.88250
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 254.224580195
• Heavy Atom Count: 18
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

ISOAMYL UNDECYLENETE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=CCCCCC(=O)OCCC(C)C