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Molecule
1-Tetralone
CAS: 529-34-0 · C10H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 529-34-0
- Molecular Formula
- C10H10O
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
529-34-0
SMILES
O=C1CCCc2ccccc21
InChI Key
XHLHPRDBBAGVEG-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
Names and Synonyms
- 1-Tetralone Synonym
- 1(2H)-Naphthalenone, 3,4-dihydro- Synonym
- 3,4-Dihydro-1(2H)-naphthalenone Synonym
- α-Tetralone Synonym
- 1-Tetralone Synonym
- 1,2,3,4-Tetrahydronaphthalen-1-one Synonym
- 3,4-Dihydro-2H-naphthalen-1-one Synonym
- 1-Oxotetralin Synonym
- 1,2,3,4-Tetrahydro-1-oxonaphthalene Synonym
- 1-Oxo-1,2,3,4-tetrahydronaphthalene Synonym
- NSC 5171 Synonym
- 3,4-Dihydronaphthalen-1(2H)-one Synonym
- Benzocyclohexan-1-one Synonym
- 3,4-Dihydronaphthalen-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| 146.189 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0988 g/cm3 @ 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Tetralone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XHLHPRDBBAGVEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8 °C | CAS Common Chemistry |
| Name | 1-Tetralone | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.2056000000000004 | RDKit |
| 2.2056 | RDKit | |
| 1.99 | chempirical lib | |
| Molar Refractivity | 43.710500000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 146.07316494 g/mol | RDKit |
| Boiling Point | 255-257 °C @ 760 Torr | CAS Common Chemistry |
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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Quick conversion
MW = 146.19 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O.
