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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 Mass:
132.21 g/mol
Names and Synonyms:
P-Cymenene
Benzene, 1-methyl-4-(1-methylethenyl)-
Styrene, p,α-dimethyl-
1-Methyl-4-(1-methylethenyl)benzene
1-Methyl-4-isopropenylbenzene
p-Methyl-α-methylstyrene
p,α-Dimethylstyrene
p-Isopropenyltoluene
α,p-Dimethylstyrene
4-Methyl-α-methylstyrene
α,4-Dimethylstyrene
2-(p-Methylphenyl)propene
2-p-Tolylpropene
4-Isopropenyltoluene
Dehydro-p-cymene
1-Isopropenyl-4-methylbenzene
p-Cymenene
4-Methylisopropenylbenzene
p-Methylisopropenylbenzene
1-p-Tolyl-1-methylethylene
2-p-Tolyl-1-propene
4-Isopropenyl-1-methylbenzene
4,α-Dimethylstyrene
NSC 361058
α-Methyl-p-methylstyrene
1-Methyl-4-(1-methylvinyl)benzene
1-Methyl-4-(prop-1-en-2-yl)benzene
2-(4-Methylphenyl)-1-propene
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
Key Properties
Boiling Point
185.3 °C
CAS Common Chemistry
Melting Point
-20 °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 |
| 132.20599999999996 g/mol | RDKit | |
| 132.093900384 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9065 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 185.3 °C | CAS Common Chemistry |
| Canonical SMILES | C=C(C1=CC=C(C=C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MMSLOZQEMPDGPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -20 °C | CAS Common Chemistry |
| Name | p-Cymenene | 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 | 3.0281200000000013 | RDKit |
| Molar Refractivity | 45.88700000000003 | RDKit |
