3,5,5-Trimethyl-1,2-cyclohexanedione
Properties
- Molecular formula
- C9H14O2
- Molar mass
- 154.21 g/mol
- Exact mass
- 154.0994 Da
- Melting point
- 91 °C
- logP
- 1.58Crippen estimate
- Polar surface area
- 34.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed60.9% of notifiers
- H317 May cause an allergic skin reaction98.4% of notifiers
- H319 Causes serious eye irritation60.9% of notifiers
Aggregated from 64 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
57696-89-6SMILES
CC1CC(C)(C)CC(=O)C1=OInChIKey
WEUZZYGESXCTCU-UHFFFAOYSA-NInChI
InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h6H,4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 1,2-Cyclohexanedione, 3,5,5-trimethyl-
- 3,5,5-Trimethylcyclohexane-1,2-dione
Work with 3,5,5-Trimethyl-1,2-cyclohexanedione
Similar compounds
2,4,4-Trimethylcyclopentanone4694-12-657 % similar
2-Hydroxy-3-methyl-2-cyclopenten-1-one765-70-845 % similar
3,3,5-Trimethylcyclohexanone873-94-940 % similar
2-(1-Hydroxy-3-methylbutylidene)-5,5-dimethyl-1,3-cyclohexanedione172611-72-238 % similar
3,5-Dimethyl-1,2-cyclopentanedione13494-07-038 % similar
3,4-Dimethyl 1,2-cyclopentandione13494-06-931 % similar
Dimedone126-81-831 % similar
3,3,5,5-Tetramethylcyclohexanone14376-79-531 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds