Back to Search
Molecule
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 Mass
- 86.09 g/mol
Identifiers
CAS Registry Number
96-33-3
SMILES
C=CC(=O)OC
InChI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
Names and Synonyms
- Methyl Acrylate Common Name
- 2-Propenoic acid, methyl ester Synonym
- Acrylic acid methyl ester Synonym
- Methyl acrylate Synonym
- 2-Propenoic acid methyl ester Synonym
- Methoxycarbonylethylene Synonym
- Methyl propenoate Synonym
- Methyl prop-2-enoate Synonym
- Methyl acrylic ester Synonym
- NSC 24146 Synonym
- K 400 Synonym
- Methacrylic acid tert-butyl ester Synonym
- K 268P Synonym
- Methyl acrylate-vinylidene copolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.09 g/mol | CAS Common Chemistry |
| 86.08999999999999 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9535 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_acrylate | CAS Common Chemistry |
| Boiling Point | 80.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BAPJBEWLBFYGME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -76.5 °C | CAS Common Chemistry |
| Name | Methyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.34539999999999993 | RDKit |
| 0.3454 | RDKit | |
| Molar Refractivity | 22.21299999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 86.036779432 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
Convert
Quick conversion
MW = 86.09 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O2.
