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Methyl Acrylate
CAS: 96-33-3 | C4H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-33-3
Molecular Formula:
C4H6O2
Molecular Weight:
86.08999999999999 g/mol
Names and Synonyms:
Methyl Acrylate
Common Name
Methyl acrylate-vinylidene copolymer
Synonym
K 268P
Synonym
Methacrylic acid tert-butyl ester
Synonym
K 400
Synonym
NSC 24146
Synonym
Methyl acrylic ester
Synonym
Methyl prop-2-enoate
Synonym
Methyl propenoate
Synonym
Methoxycarbonylethylene
Synonym
2-Propenoic acid methyl ester
Synonym
Methyl acrylate
Synonym
Acrylic acid methyl ester
Synonym
2-Propenoic acid, methyl ester
Synonym
Identifiers:
SMILES:
C=CC(=O)OC
InChI:
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.09 g/mol | Legacy Database |
| density | 0.95 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methyl_acrylate None | Legacy Database |
| cas-boiling-point | 80.5 °C None | Legacy Database |
| cas-canonical-smile | O=C(OC)C=C None | Legacy Database |
| cas-density | 0.9535 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BAPJBEWLBFYGME-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -76.5 °C None | Legacy Database |
| cas-name | Methyl acrylate None | Legacy Database |
| wikipedia-name | Methyl acrylate None | Legacy Database |
| LogP | 0.34539999999999993 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.08999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.036779432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.21299999999999 | RDKit |