3-Methylbutyl 2-methylheptanoate

Base Information

• Chemical Name: 3-Methylbutyl 2-methylheptanoate
• CAS No.: 94133-55-8
• Molecular Formula: C13H26 O2
• Molecular Weight: 214.34434
• European Community (EC) Number: 302-716-1
• DSSTox Substance ID: DTXSID80916392
• Nikkaji Number: J368.170J
• Mol file: 94133-55-8.mol

Synonyms:3-Methylbutyl 2-methylheptanoate;94133-55-8;EINECS 302-716-1;SCHEMBL7217380;DTXSID80916392;2-Methylheptanoic acid 3-methylbutyl ester;Heptanoic acid, 2-methyl-, 3-methylbutyl ester

Chemical Property of 3-Methylbutyl 2-methylheptanoate

Chemical Property:

• Vapor Pressure: 0.0401mmHg at 25°C
• Boiling Point: 239.5°Cat760mmHg
• Flash Point: 104°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 3.79210
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 214.193280068
• Heavy Atom Count: 15
• Complexity: 164

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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