alpha-Cyclohexylcyclohexanemethanol
Basic information
- CAS
4453-82-1- Standard SMILES
OC(C1CCCCC1)C1CCCCC1- InChIKey
DEFUSPNGFCCTEU-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Names & identifiers
- Preferred name
- alpha-Cyclohexylcyclohexanemethanol
- IUPAC
- dicyclohexylmethanol
- English name
- Dicyclohexylmethanol
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
Dicyclohexylmethanol4453-82-1alpha-CyclohexylcyclohexanemethanolLH2MTW54VJEINECS 224-695-7NSC-60010DODECAHYDROBENZHYDROLAI3-05548METHANOL, DICYCLOHEXYL-DTXSID80196213NSC 60010RefChem:111143
Show more names
DicyclohexylmethanoDicyclhexylmethanoldicyclohexylmethylolDicycloverine Impurity 8Dicyclohexylmethanol,98%α-CyclohexylcyclohexanemethanolCyclohexanemethanol, α-cyclohexyl-
DTXCID90118704224-695-7DEFUSPNGFCCTEU-UHFFFAOYSA-NDicyclohexylcarbinolMFCD00001474Cyclohexanemethanol, .alpha.-cyclohexyl-NSC60010dicyclohexylmethan-1-ol
Database identifiers
- CAS
4453-82-1- PubChem CID
- 78197
- DTXSID
DTXSID80196213- UNII
- LH2MTW54VJ
- EC Number
- 224-695-7
- Nikkaji
- J205.840E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 58 · 58-64 °C(lit.)
- Boiling point
- 154 °C12 · 154 °C12 mm Hg(lit.)
- Density
- 0.8924 · 0.8924 (rough estimate)
- refractive index
- 1.479 · 1.4790 (estimate)
- Flash point
- 153 · 153-155°C/12mm
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- 0.1 g/mL, · methanol: 0.1 g/mL, clear
- pka
- 15.17 · 15.17±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- BRN
- 1926669 · 1926669
- FDA UNII
- 2 MTW54VJ · LH2MTW54VJ
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesDicyclohexylmethanol is a useful reagent for the synthetic preparation of cyclohexane derivatives.
Related reactions
4 records
Compound notes
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