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Reference substances

Reference substances

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General information

Inventory

EC number:
201-126-0
EC name:
3,5,5-trimethylcyclohex-2-enone
CAS number:
78-59-1

No inventory information available

Reference substance information

IUPAC name:
3,5,5-trimethylcyclohex-2-en-1-one
Synonyms
Names:
1,1,3-Trimethyl-3-cyclohexene-5-one
1,5,5-Trimethyl-3-oxocyclohexene
1-Cyclohexen-3-one, 1,5,5-trimethyl-
2-Cyclohexen-1-one, 3,5,5-trimethyl-
3,5,5-Trimethyl-2-cyclohexenone
3,5,5-trimethylcyclohex-2-en-1-one
Isoacetophorone
Isophorone
alpha-Isophorone
Identifier:
CAS number
78-59-1
Identifier:
IUPAC name
3,5,5-TRIMETHYLCYCLOHEX-2-ENONE
Identifier:
IUPAC name
3,5,5-trimethylcyclohex-2-en-1-one
Identifier:
ChemSpider ID
6296
Identifier:
common name
ISOPHORONE
3,5,5-Trimethyl-2-cyclohexene-1-one

CAS information

CAS number:
78-59-1

Molecular and structural information

Molecular formula:
C9H14O
Molecular weight:
138.207
SMILES notation:
CC1=CC(=O)CC(C)(C)C1
InChl:
InChI=1/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
Structural formula:
Chemical structure