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Reference substances

Reference substances

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General information

Inventory

EC number:
245-842-1
EC name:
(E)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
CAS number:
23726-91-2

No inventory information available

Reference substance information

IUPAC name:
(2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one
Synonyms
Names:
2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
Identifier:
CAS number
23726-91-2
Identifier:
IUPAC name
(2E)-1-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one
Identifier:
other: InChl
InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
(2E)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

CAS information

CAS number:
23726-91-2

Molecular and structural information

Molecular formula:
C13H20O
Molecular weight:
192.297
SMILES notation:
C\C=C\C(=O)C1=C(C)CCCC1(C)C
InChl:
InChI=1/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3
Structural formula:
Chemical structure