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Molecule
1-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 Mass
- 148.21 g/mol
Identifiers
CAS Registry Number
529-33-9
SMILES
OC1CCCc2ccccc21
InChI Key
JAAJQSRLGAYGKZ-UHFFFAOYSA-N
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
Names and Synonyms
- 1-Tetralol Synonym
- 1-Naphthalenol, 1,2,3,4-tetrahydro- Synonym
- 1-Naphthol, 1,2,3,4-tetrahydro- Synonym
- 1,2,3,4-Tetrahydro-1-naphthalenol Synonym
- 1-Tetralol Synonym
- α-Tetralol Synonym
- 1,2,3,4-Tetrahydro-1-naphthol Synonym
- 1-Hydroxytetralin Synonym
- 1-Hydroxy-1,2,3,4-tetrahydronaphthalene Synonym
- (±)-1-Tetralol Synonym
- (±)-1,2,3,4-Tetrahydro-1-naphthol Synonym
- (±)-α-Tetralol Synonym
- (RS)-1-Hydroxytetralin Synonym
- NSC 5172 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.21 g/mol | CAS Common Chemistry |
| 148.20499999999998 g/mol | RDKit | |
| 148.205 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0896 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Boiling Point | 102-104 °C | CAS Common Chemistry |
| Canonical SMILES | OC1C=2C=CC=CC2CCC1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JAAJQSRLGAYGKZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 211 °C | CAS Common Chemistry |
| Name | 1-Tetralol | 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 | 2.0563000000000002 | RDKit |
| 2.0563 | RDKit | |
| Molar Refractivity | 44.33980000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 148.088815004 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
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MW = 148.21 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12O.
