CAS Registry Number®
127-51-5
CAS Name
Isomethyl-α-ionone
Molecular Formula
C14H22O
Molecular Mass
206.32
Compound Properties
-
Boiling Point (1)
121-122 °C @ Press: 9 Torr
-
Density (2)
0.9345 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Koster, H.; Riechstoff-Ind., (1935), 10, 159, CAplus
- (2) Naves, Yves Rene; Bulletin de la Societe Chimique de France, (1951), 247-50, CAplus
Other Names and Identifiers
InChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3
InChIKey
InChIKey=JRJBVWJSTHECJK-UHFFFAOYSA-N
SMILES
C(=C(C(C)=O)C)C1C(C)(C)CCC=C1C
Canonical SMILES
O=C(C(=CC1C(=CCCC1(C)C)C)C)C
Other Names for this Substance
- 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
- 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- α-Cetone
- 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one
- α-Ionone, isomethyl-
- Isomethyl-α-ionone
- Cetone Alpha
- NSC 66432
- 3-Methyl-4-(2,6,6-trimethylcyclohex-2-enyl)-3-buten-2-one
