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Reference substances

Reference substances

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General information

Inventory

EC number:
204-260-8
EC name:
Homosalate
CAS number:
118-56-9

No inventory information available

Reference substance information

IUPAC name:
3,3,5-trimethylcyclohexyl 2-hydroxybenzoate
Synonyms
Names:
(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester
Identifier:
CAS number
118-56-9
Identifier:
IUPAC name
3,3,5-Trimethylcyclohexyl 2-hydroxybenzoate
Identifier:
other: InChl
1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
Identifier:
other: SMILES notation
c1(C(O[C@@H]2CC(C[C@@H](C2)C)(C)C)=O)c(cccc1)O
3,3,5-trimethylcyclohexyl salicylate

CAS information

CAS number:
118-56-9

Molecular and structural information

Molecular formula:
C16H22O3
Molecular weight:
262.344
SMILES notation:
CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O
InChl:
InChI=1/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
Structural formula:
Chemical structure