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2-Ethenyl-1,3,5-Trimethylbenzene
CAS: 769-25-5 | C11H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
769-25-5
Molecular Formula:
C11H14
Molecular Mass:
146.23 g/mol
Names and Synonyms:
2-Ethenyl-1,3,5-Trimethylbenzene
Benzene, 2-ethenyl-1,3,5-trimethyl-
Styrene, 2,4,6-trimethyl-
2-Ethenyl-1,3,5-trimethylbenzene
2,4,6-Trimethylstyrene
Mesitylethylene
Vinylmesitylene
2-Vinylmesitylene
NSC 51012
1,3,5-Trimethyl-2-vinylbenzene
Identifiers:
SMILES:
C=Cc1c(C)cc(C)cc1C
InChI:
InChI=1S/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3
Key Properties
Boiling Point
209 °C
CAS Common Chemistry
Melting Point
-37 °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 | 146.23 g/mol | CAS Common Chemistry |
| 146.23299999999998 g/mol | RDKit | |
| 146.109550448 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.906 g/cm3 @ Temp: 21 °C | CAS Common Chemistry | |
| Boiling Point | 209 °C | CAS Common Chemistry |
| Canonical SMILES | C=CC=1C(=CC(=CC1C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PDELBHCVXBSVPJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -37 °C | CAS Common Chemistry |
| Name | 2-Ethenyl-1,3,5-trimethylbenzene | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 3.2548600000000016 | RDKit |
| Molar Refractivity | 50.74400000000003 | RDKit |
