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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
Names and Synonyms:
2,4-Dimethylstyrene
Benzene, 1-ethenyl-2,4-dimethyl-
Styrene, 2,4-dimethyl-
1-Ethenyl-2,4-dimethylbenzene
2,4-Dimethylstyrene
1-Vinyl-2,4-dimethylbenzene
1,3-Dimethyl-4-vinylbenzene
4-Vinyl-m-xylene
2,4-Dimethyl-1-vinylbenzene
NSC 62089
Identifiers:
SMILES:
C=Cc1ccc(C)cc1C
InChI:
InChI=1S/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3
Key Properties
Boiling Point
81-85 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
-64.5--62 °C
CAS Common Chemistry
Density
0.91 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 | 132.21 g/mol | CAS Common Chemistry |
| 132.206 g/mol | RDKit | |
| 132.093900384 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.905 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 81-85 °C @ Press: 14 Torr | 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 |
| Molar Refractivity | 46.007000000000026 | RDKit |
