1,3-Dimethylbutyl 2-ethylhexanoate

Base Information

• Chemical Name: 1,3-Dimethylbutyl 2-ethylhexanoate
• CAS No.: 85118-39-4
• Molecular Formula: C14H28 O2
• Molecular Weight: 228.37092
• European Community (EC) Number: 285-694-5
• DSSTox Substance ID: DTXSID201005522
• Nikkaji Number: J309.755B
• Mol file: 85118-39-4.mol

Synonyms:1,3-Dimethylbutyl 2-ethylhexanoate;85118-39-4;EINECS 285-694-5;4-methylpentan-2-yl 2-ethylhexanoate;DTXSID201005522;2-Ethylhexanoic acid 1,3-dimethylbutyl ester

Chemical Property of 1,3-Dimethylbutyl 2-ethylhexanoate

Chemical Property:

• Vapor Pressure: 0.0258mmHg at 25°C
• Boiling Point: 247.3°C at 760 mmHg
• Flash Point: 106.6°C
• PSA: 26.30000
• Density: 0.864g/cm³
• LogP: 4.18060
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 228.208930132
• Heavy Atom Count: 16
• Complexity: 187

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)OC(C)CC(C)C