4,6-Dimethylcyclohexane-1,3-diol
Basic information
- CAS
187873-35-4- Standard SMILES
CC1CC(C)C(O)CC1O- InChIKey
WGXSWJYIAWIGBQ-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 4,6-Dimethylcyclohexane-1,3-diol
- IUPAC
- 4,6-dimethylcyclohexane-1,3-diol
- English name
- 1,3-Cyclohexanediol, 4,6-dimethyl- (9CI)
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21144
Names & synonyms
187873-35-44,6-dimethylcyclohexane-1,3-diol1,3-Cyclohexanediol, 4,6-dimethyl- (9CI)SCHEMBL30735354,6-dimethyl-cyclohexane-1,3-diol1,3-Cyclohexanediol, 4,6-dimethyl-AKOS024341810DB-278914
Database identifiers
- CAS
187873-35-4- PubChem CID
- 4577933
- EC Number
- 148-847-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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