Back to Search
1-(2-Naphthyl)Ethanol
CAS: 7228-47-9 | C12H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7228-47-9
Molecular Formula:
C12H12O
Molecular Mass:
172.23 g/mol
Names and Synonyms:
1-(2-Naphthyl)Ethanol
2-Naphthalenemethanol, α-methyl-
α-Methyl-2-naphthalenemethanol
2-(1-Hydroxyethyl)naphthalene
1-β-Naphthylethanol
1-(2-Naphthyl)-1-ethanol
Methyl 2-naphthyl carbinol
1-(2-Naphthyl)ethanol
(±)-α-Methyl-2-naphthalenemethanol
(±)-1-(2-Naphthyl)ethanol
1-(2-Naphthalenyl)ethanol
NSC 92277
1-(Naphthalen-2-yl)ethanol
1-(Naphthalen-2-yl)ethan-1-ol
Identifiers:
SMILES:
CC(O)c1ccc2ccccc2c1
InChI:
InChI=1S/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3
Key Properties
Boiling Point
145 °C @ Press: 8 Torr
CAS Common Chemistry
Melting Point
72 °C
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 | 172.23 g/mol | CAS Common Chemistry |
| 172.22699999999998 g/mol | RDKit | |
| 172.088815004 g/mol | RDKit | |
| Boiling Point | 145 °C @ Press: 8 Torr | CAS Common Chemistry |
| Canonical SMILES | OC(C=1C=CC=2C=CC=CC2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AXRKCRWZRKETCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72 °C | CAS Common Chemistry |
| Name | 1-(2-Naphthyl)ethanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.8931000000000013 | RDKit |
| Molar Refractivity | 54.58180000000003 | RDKit |
