2-Ethylhexyl 3,5,5-trimethylhexanoate

Base Information

• Chemical Name: 2-Ethylhexyl 3,5,5-trimethylhexanoate
• CAS No.: 70969-70-9
• Molecular Formula: C17H34 O2
• Molecular Weight: 270.45066
• European Community (EC) Number: 275-073-7
• UNII: I6KB4GE3K4
• DSSTox Substance ID: DTXSID60867974
• Nikkaji Number: J288.713D
• Wikidata: Q27280512
• Mol file: 70969-70-9.mol

Synonyms:2-Ethylhexyl 3,5,5-trimethylhexanoate;70969-70-9;Dragoxat 89;Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester;UNII-I6KB4GE3K4;I6KB4GE3K4;ETHYLHEXYL ISONONANOATE;DTXSID60867974;EINECS 275-073-7;ES 108109;DUB INO;PELEMOL 89;2-ethylhexyl isopelargonate;DERMOL 89;SCHEMBL579684;CORUM 5021;AEC ETHYLHEXYL ISONONANOATE;HALLSTAR OCTYL ISONONANOATE;ETHYLHEXYL ISONONANOATE [INCI];D93261;3,5,5-Trimethylhexanoic acid 2-ethylhexyl ester;3,5,5-Trimethylhexanoic acid, 2-ethylhexyl ester;Q27280512;2-ethylhexyl 3,5,5-trimethylhexanoate;hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester

Chemical Property of 2-Ethylhexyl 3,5,5-trimethylhexanoate

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
• Water Solubility.: 1μg/L at 20℃
• XLogP3: 6.2
• 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:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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