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Molecule
2,4-Dimethylstyrene
CAS: 2234-20-0 · C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2234-20-0
- Molecular Formula
- C10H12
- Molecular Mass
- 132.21 g/mol
Identifiers
CAS Registry Number
2234-20-0
SMILES
C=Cc1ccc(C)cc1C
InChI Key
OEVVKKAVYQFQNV-UHFFFAOYSA-N
InChI
InChI=1S/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3
Names and Synonyms
- 2,4-Dimethylstyrene Systematic Name
- Benzene, 1-ethenyl-2,4-dimethyl- Synonym
- Styrene, 2,4-dimethyl- Synonym
- 1-Ethenyl-2,4-dimethylbenzene Synonym
- 2,4-Dimethylstyrene Synonym
- 1-Vinyl-2,4-dimethylbenzene Synonym
- 1,3-Dimethyl-4-vinylbenzene Synonym
- 4-Vinyl-m-xylene Synonym
- 2,4-Dimethyl-1-vinylbenzene Synonym
- NSC 62089 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 | 0.91 g/cm³ | CAS Common Chemistry |
| 0.905 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | C=CC1=CC=C(C=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OEVVKKAVYQFQNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -64.5--62 °C | CAS Common Chemistry |
| Name | 2,4-Dimethylstyrene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.9464400000000017 | RDKit |
| 2.9464 | RDKit | |
| Molar Refractivity | 46.007000000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 132.093900384 g/mol | RDKit |
| Boiling Point | 81-85 °C @ 14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 132.21 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12.
