3,5,5-Trimethylhexyl oleate

Base Information

• Chemical Name: 3,5,5-Trimethylhexyl oleate
• CAS No.: 94133-86-5
• Molecular Formula: C27H52 O2
• Molecular Weight: 408.70058
• European Community (EC) Number: 302-750-7
• DSSTox Substance ID: DTXSID901272374
• Nikkaji Number: J368.192K
• Mol file: 94133-86-5.mol

Synonyms:3,5,5-Trimethylhexyl oleate;94133-86-5;EINECS 302-750-7;DTXSID901272374;3,5,5-Trimethylhexyl (9Z)-9-octadecenoate;(Z)-9-Octadecenoic acid 3,5,5-trimethylhexyl ester

Chemical Property of 3,5,5-Trimethylhexyl oleate

Chemical Property:

• Vapor Pressure: 4.39E-09mmHg at 25°C
• Boiling Point: 472.1°Cat760mmHg
• Flash Point: 73.9°C
• PSA: 26.30000
• Density: 0.866g/cm³
• LogP: 9.02950
• XLogP3: 11
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 408.396730897
• Heavy Atom Count: 29
• Complexity: 392

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)CC(C)(C)C
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCC(C)CC(C)(C)C

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