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Reference substances

Reference substances

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General information

Inventory

EC number:
201-224-3
EC name:
(E)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
CAS number:
79-77-6

No inventory information available

Reference substance information

IUPAC name:
(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one
Synonyms
Names:
(E)-.β.-Ionone
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
trans-.β.-Ionone
β.-Ionone
Identifier:
CAS number
79-77-6
4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

CAS information

CAS number:
79-77-6

Molecular and structural information

Molecular formula:
C13H20O
Molecular weight:
192.297
SMILES notation:
CC(=O)\C=C\C1=C(C)CCCC1(C)C
InChl:
InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
Structural formula:
Chemical structure