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Molecule
Tetralin
CAS: 119-64-2 · C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 119-64-2
- Molecular Formula
- C10H12
- Molecular Mass
- 132.21 g/mol
Identifiers
CAS Registry Number
119-64-2
SMILES
c1ccc2c(c1)CCCC2
InChI Key
CXWXQJXEFPUFDZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
Names and Synonyms
- Tetralin Common Name
- Naphthalene, 1,2,3,4-tetrahydro- Synonym
- 1,2,3,4-Tetrahydronaphthalene Synonym
- Tetrahydronaphthalene Synonym
- Tetralin Synonym
- Tetranap Synonym
- Benzocyclohexane Synonym
- NSC 77451 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.21 g/mol | CAS Common Chemistry |
| 132.206 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9702 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetralin | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CXWXQJXEFPUFDZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35.8 °C | CAS Common Chemistry |
| Name | Tetralin | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5654000000000003 | RDKit |
| 2.5654 | RDKit | |
| 2.58 | chempirical lib | |
| Molar Refractivity | 43.084000000000024 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 132.093900384 g/mol | RDKit |
| Boiling Point | 207.6 °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 = 132.21 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12.
