2,4-Dimethylcyclohexan-1-ol
Basic information
- CAS
69542-91-2- Standard SMILES
CC1CCC(O)C(C)C1- InChIKey
CKPQAKDCQGMTSO-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Overview
2,4-dimethyl-Cyclohexanol is a member of cyclohexanols.
Names & identifiers
- Preferred name
- 2,4-Dimethylcyclohexan-1-ol
- IUPAC
- 2,4-dimethylcyclohexan-1-ol
- English name
- 2,4-Dimethylcyclohexanol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
2,4-Dimethylcyclohexan-1-olEINECS 274-037-8DTXSID60989524NSC 92760RefChem:443779DTXCID801416644274-037-82,4-Dimethylcyclohexanol69542-91-22,4-dimethyl-cyclohexanolCyclohexanol, 2,4-dimethyl-NSC92760
Show more names
2,4-DIMETHYLCYCLOHEXANOL (MIXTURE OF ISOMERS)
SCHEMBL1276019SCHEMBL1276020SCHEMBL27490135SCHEMBL27548500CHEBI:229336UCA54291MFCD00019328NSC-92760
Database identifiers
- CAS
69542-91-2- PubChem CID
- 98251
- DTXSID
DTXSID60989524- ChEBI
CHEBI:229336- EC Number
- 274-037-8
- Nikkaji
- J267.416E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.6
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Melting point
- 19.68 °C · 19.68°C (estimate)
- Boiling point
- 187.67 °C · 187.67°C (estimate)
- Density
- 0.9 · 0.9000
- refractive index
- 1.45 · 1.4500
- pka
- 15.34 · 15.34±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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