3-Methylpentyl isovalerate

Base Information

• Chemical Name: 3-Methylpentyl isovalerate
• CAS No.: 35852-41-6
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.29118
• European Community (EC) Number: 252-758-9
• DSSTox Substance ID: DTXSID80957260
• Nikkaji Number: J319.546E
• Mol file: 35852-41-6.mol

Synonyms:3-Methylpentyl isovalerate;3-methylpentyl 3-methylbutanoate;35852-41-6;EINECS 252-758-9;SCHEMBL3508684;DTXSID80957260;AKOS006328117;3-Methylbutanoic acid 3-methylpentyl ester

Chemical Property of 3-Methylpentyl isovalerate

Chemical Property:

• Vapor Pressure: 0.271mmHg at 25°C
• Boiling Point: 203.9°Cat760mmHg
• Flash Point: 78.9°C
• PSA: 26.30000
• Density: 0.869g/cm³
• LogP: 3.01190
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

98%Min ^*data from raw suppliers

3-METHYLPENTYL ISOVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCOC(=O)CC(C)C