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Molecule
Alpha-Methylstyrene
CAS: 98-83-9 · C9H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 98-83-9
- Molecular Formula
- C9H10
- Molecular Mass
- 118.18 g/mol
Identifiers
CAS Registry Number
98-83-9
SMILES
C=C(C)c1ccccc1
InChI Key
XYLMUPLGERFSHI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
Names and Synonyms
- Alpha-Methylstyrene Common Name
- Benzene, (1-methylethenyl)- Synonym
- Styrene, α-methyl- Synonym
- Benzene, isopropenyl- Synonym
- (1-Methylethenyl)benzene Synonym
- Isopropenylbenzene Synonym
- α-Methylstyrene Synonym
- β-Phenylpropylene Synonym
- 1-Propene, 2-phenyl- Synonym
- α-Methylstyrol Synonym
- 1-Methyl-1-phenylethylene Synonym
- 1-Phenyl-1-methylethylene Synonym
- 2-Phenylpropene Synonym
- 2-Phenyl-1-propene Synonym
- 2-Phenyl-2-propene Synonym
- Methylstyrene Synonym
- 1-Methyl-1-phenylethene Synonym
- 1-Methylvinyl benzene Synonym
- NSC 9400 Synonym
- α-Methylvinylbenzene Synonym
- 2-Phenylpropylene Synonym
- 2-Phenyl-1-propylene Synonym
- Prop-1-en-2-ylbenzene Synonym
- K 150 (styrene) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 118.18 g/mol | CAS Common Chemistry |
| 118.17899999999995 g/mol | RDKit | |
| 118.179 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9106 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Alpha-Methylstyrene | CAS Common Chemistry |
| Boiling Point | 165.4 °C | CAS Common Chemistry |
| Canonical SMILES | C=C(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XYLMUPLGERFSHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -23.2 °C | CAS Common Chemistry |
| Name | α-Methylstyrene | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 2.7197000000000005 | RDKit |
| 2.7197 | RDKit | |
| Molar Refractivity | 41.15000000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 118.07825032 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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Quick conversion
MW = 118.18 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10.
