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4-Acetoxystyrene
CAS: 2628-16-2 | C10H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2628-16-2
Molecular Formula:
C10H10O2
Molecular Mass:
162.19 g/mol
Names and Synonyms:
4-Acetoxystyrene
Phenol, 4-ethenyl-, 1-acetate
Phenol, p-vinyl-, acetate
Phenol, 4-ethenyl-, acetate
p-Acetoxystyrene
4-Acetoxystyrene
4-Vinylphenyl acetate
4-Ethenylphenol acetate
PACS
(4-Ethenylphenyl) acetate
4-Acetoxy-1-ethenylbenzene
Acetic acid 4-vinylphenyl ester
Identifiers:
SMILES:
C=Cc1ccc(OC(C)=O)cc1
InChI:
InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3
Key Properties
Boiling Point
80 °C @ Press: 1.5 Torr
CAS Common Chemistry
Density
1.05 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 | 162.19 g/mol | CAS Common Chemistry |
| 162.188 g/mol | RDKit | |
| 162.06807956 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0548 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 80 °C @ Press: 1.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1=CC=C(C=C)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JAMNSIXSLVPNLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Acetoxystyrene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.2549 | RDKit |
| Molar Refractivity | 47.84200000000003 | RDKit |
