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Reference substances

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IUPAC name:
trans-4-tert-butylcyclohexyl acetate

Inventory

EC number:
217-598-6
EC name:
trans-4-tert-butylcyclohexyl acetate
CAS number:
1900-69-2
CAS number:
1900-69-2
Synonyms
Names:
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate, trans-
Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, trans-
Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate-, trans-
Identifier:
IUPAC name
4-tert-butylcyclohexyl acetate, trans
Identifier:
IUPAC name
Trans-(4-tert-butylcyclohexyl) acetate
Identifier:
IUPAC name
trans-4-tert-butyl-1,4-dimethylcyclohexyl acetate
Identifier:
other: SMILES notation
CC(OC1CCC(CC1)C(C)(C)C)=O
Identifier:
other: InChl
InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11-
Identifier:
other: InChl
InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
Identifier:
other: SMILES notation
O=C(C)O[C@@H]1CC[C@H](CC1)C(C)(C)C

Molecular and structural information

Molecular formula:
C12H22O2
Molecular weight:
198.302
SMILES notation:
CC(=O)O[C@@H]1CC[C@H](CC1)C(C)(C)C
InChl:
InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
32210-23-4