Beta-Cyclocitral
Properties
- Molecular formula
- C10H16O
- Molar mass
- 152.24 g/mol
- Exact mass
- 152.1201 Da
- Density
- 0.952 g/mL (at 15 °C)
- Boiling point
- 90–92 °C (at 10 Torr)
- logP
- 2.71Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed40.8% of notifiers
- H312 Harmful in contact with skin38.3% of notifiers
- H315 Causes skin irritation46.7% of notifiers
- H319 Causes serious eye irritation46.7% of notifiers
- H332 Harmful if inhaled38.3% of notifiers
- H335 May cause respiratory irritation46.7% of notifiers
Aggregated from 120 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
432-25-7SMILES
CC1=C(C=O)C(C)(C)CCC1InChIKey
MOQGCGNUWBPGTQ-UHFFFAOYSA-NInChI
InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- β-Cyclocitral
- 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
- 2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde
- 1-Formyl-2,6,6-trimethyl-1-cyclohexene
- 2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde
- 2,6,6-Trimethylcyclohexene-1-carbaldehyde
Work with Beta-Cyclocitral
Similar compounds
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one14901-07-660 % similar
β-Ionone79-77-660 % similar
Beta-HOMOCYCLOCITRAL472-66-254 % similar
Retinal116-31-452 % similar
Beta-carotene7235-40-751 % similar
3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol5208-93-548 % similar
(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one23726-92-346 % similar
DIHYDRO-beta-IONONE17283-81-746 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds