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Molecule
Butyl Acrylate
CAS: 141-32-2 · C7H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 141-32-2
- Molecular Formula
- C7H12O2
- Molecular Mass
- 128.17 g/mol
Identifiers
CAS Registry Number
141-32-2
SMILES
C=CC(=O)OCCCC
InChI Key
CQEYYJKEWSMYFG-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
Names and Synonyms
- Butyl Acrylate Common Name
- 2-Propenoic acid, butyl ester Synonym
- Acrylic acid butyl ester Synonym
- Acrylic acid n-butyl ester Synonym
- n-Butyl acrylate Synonym
- Butyl 2-propenoate Synonym
- Butyl acrylate Synonym
- NSC 5163 Synonym
- BA 100PPM Synonym
- DL 325 Synonym
- Butyl propenoate Synonym
- EM 24 Synonym
- YDCN 330-607P Synonym
- Z 1104 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.17 g/mol | CAS Common Chemistry |
| 128.171 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8898 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Butyl_acrylate | CAS Common Chemistry |
| Boiling Point | 145-149 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CQEYYJKEWSMYFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -64.6 °C | CAS Common Chemistry |
| Name | Butyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.5156999999999998 | RDKit |
| 1.5157 | RDKit | |
| Molar Refractivity | 36.06399999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 128.083729624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 128.17 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H12O2.
