Back to Search
Molecule
1-Cyclohexylethanol
CAS: 1193-81-3 · C8H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1193-81-3
- Molecular Formula
- C8H16O
- Molecular Mass
- 128.21 g/mol
Identifiers
CAS Registry Number
1193-81-3
SMILES
CC(O)C1CCCCC1
InChI Key
JMSUNAQVHOHLMX-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
Names and Synonyms
- 1-Cyclohexylethanol Systematic Name
- Cyclohexanemethanol, α-methyl- Synonym
- α-Methylcyclohexanemethanol Synonym
- Ethanol, 1-cyclohexyl- Synonym
- Methanol, cyclohexylmethyl- Synonym
- Cyclohexylmethylcarbinol Synonym
- 1-Cyclohexylethanol Synonym
- 1-Cyclohexyl-1-ethanol Synonym
- Methylcyclohexylcarbinol Synonym
- Methylcyclohexylmethanol Synonym
- 1-Cyclohexane-1-ethanol Synonym
- (±)-1-Cyclohexylethanol Synonym
- (1-Hydroxyethyl)cyclohexane Synonym
- NSC 44898 Synonym
- NSC 9476 Synonym
- Surflot 944 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.21 g/mol | CAS Common Chemistry |
| 128.215 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.893 g/cm3 @ 22 °C | CAS Common Chemistry | |
| Boiling Point | 189 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JMSUNAQVHOHLMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140 °C | CAS Common Chemistry |
| Name | 1-Cyclohexylethanol | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.9475 | RDKit |
| Molar Refractivity | 38.2558 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 128.120115132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 128.21 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H16O.
