4-(Hydroxymethyl)cyclohexan-1-one
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- logP
- 0.74Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage33.3% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
38580-68-6SMILES
C1CC(=O)CCC1COInChIKey
KHMBXNKCMNGLKG-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h6,8H,1-5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-(Hydroxymethyl)cyclohexanone
Work with 4-(Hydroxymethyl)cyclohexan-1-one
Similar compounds
3-(Hydroxymethyl)cyclobutan-1-one183616-18-457 % similar
4-Ethylcyclohexanone5441-51-052 % similar
Cyclohexanedimethanol105-08-850 % similar
4-Hydroxycyclohexanone13482-22-950 % similar
Cyclopropanemethanol2516-33-850 % similar
trans-1,4-Cyclohexanedimethanol3236-48-450 % similar
4-Propylcyclohexanone40649-36-350 % similar
4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-748 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.