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Reference substances

Currently viewing:
IUPAC name:
3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate

Inventory

EC number:
261-665-2
EC name:
3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate
CAS number:
59219-71-5
CAS number:
59219-71-5
Synonyms
Names:
3,5,5-trimethylhexyl_3,5,5-trimethylhexanoate
Hexanoic acid, 3,5,5-trimethyl-, 3,5,5-trimethylhexyl ester
Identifier:
CAS number
42131-25-9
Identifier:
common name
isononyl isononanoate
Identifier:
INCI name
Isononyl Isononanoate
Identifier:
other: InChl
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
3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate

Molecular and structural information

Molecular formula:
C18H36O2
Molecular weight:
ca. 284.5
SMILES notation:
CC(CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
InChl:
InChI=1/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
Structural formula:
Chemical structure

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