Back to Search
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
Names and Synonyms:
1-Cyclohexylethanol
Cyclohexanemethanol, α-methyl-
α-Methylcyclohexanemethanol
Ethanol, 1-cyclohexyl-
Methanol, cyclohexylmethyl-
Cyclohexylmethylcarbinol
1-Cyclohexylethanol
1-Cyclohexyl-1-ethanol
Methylcyclohexylcarbinol
Methylcyclohexylmethanol
1-Cyclohexane-1-ethanol
(±)-1-Cyclohexylethanol
(1-Hydroxyethyl)cyclohexane
NSC 44898
NSC 9476
Surflot 944
Identifiers:
SMILES:
CC(O)C1CCCCC1
InChI:
InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
Key Properties
Boiling Point
189 °C
CAS Common Chemistry
Melting Point
140 °C
CAS Common Chemistry
Density
0.89 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.21 g/mol | CAS Common Chemistry |
| 128.215 g/mol | RDKit | |
| 128.120115132 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.893 g/cm3 @ Temp: 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 | RDKit |
