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3,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl ester
[CAS# 59219-71-5]

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Identification
Name 3,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl ester
Synonyms 3,5,5-Trimethylhexanoic Acid 3,5,5-Trimethylhexyl Ester; 3,5,5-Trimethyl-1-Hexyl 3,5,5-Trimethylhexanoate
Molecular Structure CAS#: 59219-71-5, 3,5,5-trimethylhexanoic acid 3,5,5-trimethylhexyl ester
Molecular Formula C18H36O2
Molecular Weight 284.48
CAS Registry Number 59219-71-5
EINECS 261-665-2
SMILES C(C(C)(C)C)C(CC(OCCC(CC(C)(C)C)C)=O)C
InChI 1S/C18H36O2/c1-14(12-17(3,4)5)9-10-20-16(19)11-15(2)13-18(6,7)8/h14-15H,9-13H2,1-8H3
InChIKey UIVPNOBLHXUKDX-UHFFFAOYSA-N
Properties
Density 0.862g/cm3 (Cal.)
Boiling point 286.422°C at 760 mmHg (Cal.)
Flash point 136.268°C (Cal.)
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