Beta-HOMOCYCLOCITRAL
Properties
- Molecular formula
- C11H18O
- Molar mass
- 166.26 g/mol
- Exact mass
- 166.1358 Da
- Boiling point
- 101 °C (at 11 Torr)
- logP
- 3.10Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed97.1% of notifiers
Aggregated from 1,442 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
472-66-2SMILES
CC1=C(CC=O)C(C)(C)CCC1InChIKey
VHTFHZGAMYUZEP-UHFFFAOYSA-NInChI
InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- β-Apo-8-carotenal
- 1-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-
- 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde
- β-Cyclohomocitral
- β-Homocyclocitral
- (2,6,6-Trimethyl-1-cyclohexenyl)acetaldehyde
- 2-(2,6,6-Trimethylcyclohex-1-enyl)acetaldehyde
- 2,6,6-Trimethyl-1-cycloetheneyl-acetaldehyde
- 2-(2,6,6-Trimethylcyclohex-1-en-1-yl)acetaldehyde
Work with Beta-HOMOCYCLOCITRAL
Similar compounds
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4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one14901-07-645 % similar
β-Ionone79-77-645 % similar
(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one23726-92-344 % similar
Retinal116-31-440 % similar
Beta-carotene7235-40-739 % similar
2,2-Dimethylcyclopentanone4541-32-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds