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1,2,3,4-Tetrahydro-2-Naphthalenol
CAS: 530-91-6 | C10H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
530-91-6
Molecular Formula:
C10H12O
Molecular Mass:
148.21 g/mol
Names and Synonyms:
1,2,3,4-Tetrahydro-2-Naphthalenol
2-Naphthalenol, 1,2,3,4-tetrahydro-
2-Naphthol, 1,2,3,4-tetrahydro-
1,2,3,4-Tetrahydro-2-naphthalenol
1,2,3,4-Tetrahydro-2-naphthol
β-Tetralol
2-Hydroxytetralin
2-Tetralinol
2-Tetralol
2-Hydroxy-1,2,3,4-tetrahydronaphthalene
(±)-1,2,3,4-Tetrahydro-2-naphthol
NSC 44875
NSC 5669
1,2,3,4-Tetrahydronaphthalen-2-ol
Identifiers:
SMILES:
OC1CCc2ccccc2C1
InChI:
InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2
Key Properties
Boiling Point
140 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
15.5 °C
CAS Common Chemistry
Density
1.07 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 | 148.21 g/mol | CAS Common Chemistry |
| 148.20499999999996 g/mol | RDKit | |
| 148.088815004 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0715 g/cm3 @ Temp: 17 °C | CAS Common Chemistry | |
| Boiling Point | 140 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | OC1CC=2C=CC=CC2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10-11H,5-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JWQYZECMEPOAPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15.5 °C | CAS Common Chemistry |
| Name | 1,2,3,4-Tetrahydro-2-naphthalenol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.5362 | RDKit |
| Molar Refractivity | 44.473800000000026 | RDKit |
