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Molecule
P-Cymenene
CAS: 1195-32-0 · C10H12
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1195-32-0
- Molecular Formula
- C10H12
- Molecular Mass
- 132.21 g/mol
Identifiers
CAS Registry Number
1195-32-0
SMILES
C=C(C)c1ccc(C)cc1
InChI Key
MMSLOZQEMPDGPI-UHFFFAOYSA-N
InChI
InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
Names and Synonyms
- P-Cymenene Common Name
- Benzene, 1-methyl-4-(1-methylethenyl)- Synonym
- Styrene, p,α-dimethyl- Synonym
- 1-Methyl-4-(1-methylethenyl)benzene Synonym
- 1-Methyl-4-isopropenylbenzene Synonym
- p-Methyl-α-methylstyrene Synonym
- p,α-Dimethylstyrene Synonym
- p-Isopropenyltoluene Synonym
- α,p-Dimethylstyrene Synonym
- 4-Methyl-α-methylstyrene Synonym
- α,4-Dimethylstyrene Synonym
- 2-(p-Methylphenyl)propene Synonym
- 2-p-Tolylpropene Synonym
- 4-Isopropenyltoluene Synonym
- Dehydro-p-cymene Synonym
- 1-Isopropenyl-4-methylbenzene Synonym
- p-Cymenene Synonym
- 4-Methylisopropenylbenzene Synonym
- p-Methylisopropenylbenzene Synonym
- 1-p-Tolyl-1-methylethylene Synonym
- 2-p-Tolyl-1-propene Synonym
- 4-Isopropenyl-1-methylbenzene Synonym
- 4,α-Dimethylstyrene Synonym
- NSC 361058 Synonym
- α-Methyl-p-methylstyrene Synonym
- 1-Methyl-4-(1-methylvinyl)benzene Synonym
- 1-Methyl-4-(prop-1-en-2-yl)benzene Synonym
- 2-(4-Methylphenyl)-1-propene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.21 g/mol | CAS Common Chemistry |
| 132.20599999999996 g/mol | RDKit | |
| 132.206 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9065 g/cm3 @ 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 |
| 3.0281 | RDKit | |
| Molar Refractivity | 45.88700000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 132.093900384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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.
