Alpha-isomethyl ionone
Properties
- Molecular formula
- C14H22O
- Molar mass
- 206.33 g/mol
- Exact mass
- 206.1671 Da
- Density
- 0.9345 g/mL (at 20 °C)
- Boiling point
- 121–122 °C (at 9 Torr)
- logP
- 3.90Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H317 May cause an allergic skin reactionSensitization, Skin
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
NITE-CMC, via PubChem.
Precautionary statements
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501
Identifiers
CAS number
127-51-5SMILES
CC(=O)C(C)=CC1C(C)=CCCC1(C)CInChIKey
JRJBVWJSTHECJK-UHFFFAOYSA-NInChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 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
Work with Alpha-isomethyl ionone
Similar compounds
Ionone127-41-355 % similar
Ionone8013-90-955 % similar
Methyl-γ-ionone7388-22-955 % similar
α-Damascone43052-87-548 % similar
Allyl-α-ionone79-78-747 % similar
α-Carotene7488-99-535 % similar
3-Methyl-3-penten-2-one565-62-832 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds