Isodecyl 3,5,5-trimethylhexanoate

Base Information

• Chemical Name: Isodecyl 3,5,5-trimethylhexanoate
• CAS No.: 59231-35-5
• Molecular Formula: C19H38 O2
• Molecular Weight: 298.50382
• European Community (EC) Number: 261-674-1
• DSSTox Substance ID: DTXSID10866750
• Mol file: 59231-35-5.mol

Synonyms:Isodecyl 3,5,5-trimethylhexanoate;8-methylnonyl 3,5,5-trimethylhexanoate;59231-35-5;SCHEMBL957367;DTXSID10866750;KJMXWSCWFWQVEK-UHFFFAOYSA-N;3,5,5-trimethylhexanoic acid-isodecyl ester

Chemical Property of Isodecyl 3,5,5-trimethylhexanoate

Chemical Property:

• Vapor Pressure: 0.000396mmHg at 25°C
• Boiling Point: 317°C at 760 mmHg
• Flash Point: 154.3°C
• PSA: 26.30000
• Density: 0.861g/cm³
• LogP: 5.98860
• Water Solubility.: 1.946μg/L at 20℃
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 298.287180451
• Heavy Atom Count: 21
• Complexity: 263

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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