2-Cyclohexylpropanol
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Basic information
- CAS
5442-00-2- Standard SMILES
CC(CO)C1CCCCC1- InChIKey
IRIVQXLOJHCXIE-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 2-Cyclohexylpropanol
- IUPAC
- 2-cyclohexylpropan-1-ol
- English name
- 2-CYCLOHEXYL-1-PROPANOL
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
2-Cyclohexylpropan-1-ol5442-00-22-Cyclohexyl-1-propanol2-cyclohexylpropanolCyclohexaneethanol, .beta.-methyl-Cyclohexaneethanol, beta-methyl-EINECS 226-632-9NSC 20786NSC-2078622H972KB64DTXSID3052199.BETA.-METHYLCYCLOHEXANEETHANOL
Show more names
2-Cyclohexyl-1-propanol,99%Cyclohexaneethanol, β-methyl-beta-methyl-cyclohexaneethanoBETA METHYL CYCLOHEXANE ETHANOL
BETA-METHYLCYCLOHEXANEETHANOLRefChem:470956DTXCID20307702-CYCLOHEXYLPROPANOL, (+-)-226-632-9MFCD00061066cyclohexyl propanolNSC20786
Database identifiers
- CAS
5442-00-2- PubChem CID
- 79509
- DTXSID
DTXSID3052199- UNII
- 22H972KB64
- EC Number
- 226-632-9
- Nikkaji
- J195.953K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 84
Physicochemical properties
- Boiling point
- 219.85 °C · 219.85°C (rough estimate)
- Density
- 0.9 · 0.9000
- refractive index
- 1.471 · 1.4710 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 15.03 · 15.03±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. floral mint green geranium muguet balsam
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.655 · 2.655 (est)
- CAS DataBase Reference
- 5442 · 5442-00-2
- FDA UNII
- 22 H972KB64 · 22H972KB64
- EPA Substance Registry System
- Cyclohexaneethanol, .beta.-methyl- (5442-00-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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