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4-Hydroxybutyl Acrylate
CAS: 2478-10-6 | C7H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2478-10-6
Molecular Formula:
C7H12O3
Molecular Weight:
144.17000000000002 g/mol
Names and Synonyms:
4-Hydroxybutyl Acrylate
2-Propenoic acid, 4-hydroxybutyl ester
Acrylic acid, 4-hydroxybutyl ester
1,4-Butanediol, monoacrylate
4-Hydroxybutyl acrylate
Butanediol monoacrylate
Tetramethylene glycol monoacrylate
1,4-Butanediol acrylate
4HBA
Hydroxybutyl acrylate
Laromer BDMA
Viscoat 4HBA
4-Hydroxybutyl propenoate
EM 172
A 1390
Identifiers:
SMILES:
C=CC(=O)OCCCCO
InChI:
InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.17000000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.078644244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.4880999999999999 | RDKit |
| molecular_mass | 144.17 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OCCCCO)C=C None | Legacy Database |
| cas-inchi | InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=NDWUBGAGUCISDV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 4-Hydroxybutyl acrylate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.4758 | RDKit |
