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P-Cymenene
CAS: 1195-32-0 | C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1195-32-0
Molecular Formula:
C10H12
Molecular Weight:
132.20599999999996 g/mol
Names and Synonyms:
P-Cymenene
2-(4-Methylphenyl)-1-propene
1-Methyl-4-(prop-1-en-2-yl)benzene
1-Methyl-4-(1-methylvinyl)benzene
α-Methyl-p-methylstyrene
NSC 361058
4,α-Dimethylstyrene
4-Isopropenyl-1-methylbenzene
2-p-Tolyl-1-propene
1-p-Tolyl-1-methylethylene
p-Methylisopropenylbenzene
4-Methylisopropenylbenzene
p-Cymenene
1-Isopropenyl-4-methylbenzene
Dehydro-p-cymene
4-Isopropenyltoluene
2-p-Tolylpropene
2-(p-Methylphenyl)propene
α,4-Dimethylstyrene
4-Methyl-α-methylstyrene
α,p-Dimethylstyrene
p-Isopropenyltoluene
p,α-Dimethylstyrene
p-Methyl-α-methylstyrene
1-Methyl-4-isopropenylbenzene
1-Methyl-4-(1-methylethenyl)benzene
Styrene, p,α-dimethyl-
Benzene, 1-methyl-4-(1-methylethenyl)-
Identifiers:
SMILES:
C=C(C)c1ccc(C)cc1
InChI:
InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.20599999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.093900384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.0281200000000013 | RDKit |
| cas-name | p-Cymenene None | Legacy Database |
| molecular_mass | 132.21 g/mol | Legacy Database |
| density | 0.91 g/cm³ | Legacy Database |
| cas-boiling-point | 185.3 °C None | Legacy Database |
| cas-canonical-smile | C=C(C1=CC=C(C=C1)C)C None | Legacy Database |
| cas-density | 0.9065 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MMSLOZQEMPDGPI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -20 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.88700000000003 | RDKit |
