Isobutyl 2-ethylhexanoate

Base Information

• Chemical Name: Isobutyl 2-ethylhexanoate
• CAS No.: 7434-89-1
• Molecular Formula: C12H24O2
• Molecular Weight: 200.3178
• European Community (EC) Number: 231-082-8
• DSSTox Substance ID: DTXSID60864064
• Nikkaji Number: J278.839J
• Mol file: 7434-89-1.mol

Synonyms:2-methylpropyl 2-ethylhexanoate;Isobutyl 2-ethylhexanoate;7434-89-1;Hexanoic acid, 2-ethyl-, 2-methylpropyl ester;EINECS 231-082-8;Hexanoic acid, 2-ethyl, 2-methylpropyl ester;SCHEMBL333417;iso-Butyl 2-ethyl n-hexanoate;FPBZIVPZCGICNQ-UHFFFAOYSA-;DTXSID60864064;AKOS024390940;2-Ethylhexanoic acid 2-methylpropyl ester;AS-60446;W-110220

Chemical Property of Isobutyl 2-ethylhexanoate

Chemical Property:

• Boiling Point: 222°Cat760mmHg
• Flash Point: 91.8°C
• PSA: 26.30000
• Density: 0.867g/cm³
• LogP: 3.40200
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

2-ETHYL-HEXANOIC ACID-2-METHYLPROPYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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