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α-Tetralol
CAS: 529-33-9 | C10H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
529-33-9
Molecular Formula:
C10H12O
Molecular Weight:
148.20499999999998 g/mol
Names and Synonyms:
α-Tetralol
1,2,3,4-Tetrahydro-1-naphthol
1-Tetralol
1-Naphthalenol, 1,2,3,4-tetrahydro-
1-Naphthol, 1,2,3,4-tetrahydro-
1,2,3,4-Tetrahydro-1-naphthalenol
1-Tetralol
1-Hydroxytetralin
1-Hydroxy-1,2,3,4-tetrahydronaphthalene
(±)-1-Tetralol
(±)-1,2,3,4-Tetrahydro-1-naphthol
(±)-α-Tetralol
(RS)-1-Hydroxytetralin
NSC 5172
Identifiers:
SMILES:
OC1CCCc2ccccc21
InChI:
InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 148.21 g/mol | Legacy Database |
| density | 1.09 g/cm³ | Legacy Database |
| cas-boiling-point | 102-104 °C None | Legacy Database |
| cas-canonical-smile | OC1C=2C=CC=CC2CCC1 None | Legacy Database |
| cas-density | 1.0896 g/cm3 @ Temp: 17 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JAAJQSRLGAYGKZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 211 °C None | Legacy Database |
| cas-name | 1-Tetralol None | Legacy Database |
| LogP | 2.0563000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 148.20499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 148.088815004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.33980000000003 | RDKit |
