Registration Dossier

General information

Inventory

EC number:
254-663-8
EC name:
(E)-1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
CAS number:
39872-57-6

No inventory information available

Reference substance information

IUPAC name:
(2E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Synonyms
Names:
2-Buten-1-one, 1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-, (2E)-
2-Buten-1-one, 1-(2,4,4-trimethyl-2-cyclohexen-1-yl)-, (E)-
1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one

CAS information

CAS number:
39872-57-6

Molecular and structural information

Molecular formula:
C13H20O
Molecular weight:
192.297
SMILES notation:
C\C=C\C(=O)C1CCC(C)(C)C=C1C
InChl:
InChI=1/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3
Structural formula:
Chemical structure