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Reference substances

Reference substances

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General information

Inventory

EC number:
201-911-8
EC name:
Menthyl acetate
CAS number:
89-48-5

No inventory information available

Reference substance information

IUPAC name:
5-methyl-2-(propan-2-yl)cyclohexyl acetate
Synonyms
Names:
5-Methyl-2-(1-methylethyl)cyclohexanol acetate
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate
Menthol, acetate, cis-1,3,trans-1,4-
Menthyl acetate
Identifier:
CAS number
89-48-5
Identifier:
IUPAC name
5-methyl-2-(propan-2-yl)cyclohexyl acetate
Identifier:
other: SMILES notation
CC1CCC(C(C1)OC(=O)C)C(C)C
Identifier:
other: InChl
InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m1/s1
Menthyl acetate

CAS information

CAS number:
89-48-5

Molecular and structural information

Molecular formula:
C12H22O2
Molecular weight:
198.3
SMILES notation:
C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C)C(C)C, C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C
InChl:
InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m0/s1
Structural formula:
Chemical structure