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Alpha-Methylstyrene
CAS: 98-83-9 | C9H10
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
98-83-9
Molecular Formula:
C9H10
Molecular Mass:
118.18 g/mol
Names and Synonyms:
Alpha-Methylstyrene
Benzene, (1-methylethenyl)-
Styrene, α-methyl-
Benzene, isopropenyl-
(1-Methylethenyl)benzene
Isopropenylbenzene
α-Methylstyrene
β-Phenylpropylene
1-Propene, 2-phenyl-
α-Methylstyrol
1-Methyl-1-phenylethylene
1-Phenyl-1-methylethylene
2-Phenylpropene
2-Phenyl-1-propene
2-Phenyl-2-propene
Methylstyrene
1-Methyl-1-phenylethene
1-Methylvinyl benzene
NSC 9400
α-Methylvinylbenzene
2-Phenylpropylene
2-Phenyl-1-propylene
Prop-1-en-2-ylbenzene
K 150 (styrene)
Identifiers:
SMILES:
C=C(C)c1ccccc1
InChI:
InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
Key Properties
Boiling Point
165.4 °C
CAS Common Chemistry
Melting Point
-23.2 °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 | 118.18 g/mol | CAS Common Chemistry |
| 118.17899999999995 g/mol | RDKit | |
| 118.07825032 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 |
| alpha-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 |
| Molar Refractivity | 41.15000000000002 | RDKit |
