Back to Search
Benzyl 2-propenoate
CAS: 2495-35-4 | C10H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2495-35-4
Molecular Formula:
C10H10O2
Molecular Mass:
162.19 g/mol
Names and Synonyms:
Benzyl 2-propenoate
NSC 20964
Viscoat 160
V 160
FA-BZA
Fancryl FA-BZA
V 180
A-BZ
M 1182
Miramer M 1182
Benzyl Acrylate
2-Propenoic acid, phenylmethyl ester
Acrylic acid, benzyl ester
Benzyl acrylate
Sartomer SR 432
SR 432
Identifiers:
SMILES:
C=CC(=O)OCc1ccccc1
InChI:
InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2
Key Properties
Boiling Point
94 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
214-216 °C
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 |
| 1.053 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 94 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC=1C=CC=CC1)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h2-7H,1,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GCTPMLUUWLLESL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 214-216 °C | CAS Common Chemistry |
| Name | Benzyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.9158 | RDKit |
| Molar Refractivity | 46.435000000000024 | RDKit |
