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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 Weight:
128.171 g/mol
Names and Synonyms:
Butyl Acrylate
Z 1104
YDCN 330-607P
EM 24
Butyl propenoate
DL 325
BA 100PPM
NSC 5163
Butyl acrylate
Butyl 2-propenoate
n-Butyl acrylate
Acrylic acid n-butyl ester
Acrylic acid butyl ester
2-Propenoic acid, butyl ester
Identifiers:
SMILES:
C=CC(=O)OCCCC
InChI:
InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
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 |
|---|---|---|
| cas-melting-point | -64.6 °C None | Legacy Database |
| cas-name | Butyl acrylate None | Legacy Database |
| wikipedia-name | Butyl acrylate None | Legacy Database |
| molecular_mass | 128.17 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Butyl_acrylate None | Legacy Database |
| cas-boiling-point | 145-149 °C None | Legacy Database |
| cas-canonical-smile | O=C(OCCCC)C=C None | Legacy Database |
| cas-density | 0.8898 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CQEYYJKEWSMYFG-UHFFFAOYSA-N None | Legacy Database |
| LogP | 1.5156999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.171 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.083729624 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 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 | 36.06399999999999 | RDKit |
