3,3,5-Trimethylhexyl acetate

Base Information

• Chemical Name: 3,3,5-Trimethylhexyl acetate
• CAS No.: 61836-75-7
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.29118
• European Community (EC) Number: 263-269-5
• DSSTox Substance ID: DTXSID30885928
• Nikkaji Number: J306.919B
• Wikidata: Q82864636
• Mol file: 61836-75-7.mol

Synonyms:3,3,5-Trimethylhexyl acetate;61836-75-7;1-Hexanol, 3,3,5-trimethyl-, acetate;1-Hexanol, 3,3,5-trimethyl-, 1-acetate;EINECS 263-269-5;SCHEMBL156011;DTXSID30885928;Acetic acid 3,3,5-trimethylhexyl ester

Chemical Property of 3,3,5-Trimethylhexyl acetate

Chemical Property:

• Vapor Pressure: 0.47mmHg at 25°C
• Boiling Point: 193.2°C at 760 mmHg
• Flash Point: 71.7°C
• PSA: 26.30000
• Density: 0.87g/cm³
• LogP: 3.01190
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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