3,5,5-Trimethylhexyl 2-ethylhexanoate

Base Information

• Chemical Name: 3,5,5-Trimethylhexyl 2-ethylhexanoate
• CAS No.: 85118-40-7
• Molecular Formula: C17H34O2
• Molecular Weight: 270.45066
• Hs Code.: 2915900090
• European Community (EC) Number: 285-695-0
• DSSTox Substance ID: DTXSID901005523
• Nikkaji Number: J309.756K
• Mol file: 85118-40-7.mol

Synonyms:3,5,5-Trimethylhexyl 2-ethylhexanoate;85118-40-7;EINECS 285-695-0;SCHEMBL2131132;DTXSID901005523;2-Ethylhexanoic acid 3,5,5-trimethylhexyl ester

Chemical Property of 3,5,5-Trimethylhexyl 2-ethylhexanoate

Chemical Property:

• Vapor Pressure: 0.00258mmHg at 25°C
• Boiling Point: 286.8°C at 760 mmHg
• Flash Point: 134°C
• PSA: 26.30000
• Density: 0.862g/cm³
• LogP: 5.20840
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 270.255880323
• Heavy Atom Count: 19
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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