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Molecule
4-Hydroxybutyl Acrylate
CAS: 2478-10-6 · C7H12O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2478-10-6
- Molecular Formula
- C7H12O3
- Molecular Mass
- 144.17 g/mol
Identifiers
CAS Registry Number
2478-10-6
SMILES
C=CC(=O)OCCCCO
InChI Key
NDWUBGAGUCISDV-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2
Names and Synonyms
- 4-Hydroxybutyl Acrylate Synonym
- 2-Propenoic acid, 4-hydroxybutyl ester Synonym
- Acrylic acid, 4-hydroxybutyl ester Synonym
- 1,4-Butanediol, monoacrylate Synonym
- 4-Hydroxybutyl acrylate Synonym
- Butanediol monoacrylate Synonym
- Tetramethylene glycol monoacrylate Synonym
- 1,4-Butanediol acrylate Synonym
- 4HBA Synonym
- Hydroxybutyl acrylate Synonym
- Laromer BDMA Synonym
- Viscoat 4HBA Synonym
- 4-Hydroxybutyl propenoate Synonym
- EM 172 Synonym
- A 1390 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.17 g/mol | CAS Common Chemistry |
| 144.17000000000002 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCO)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NDWUBGAGUCISDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Hydroxybutyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 0.4880999999999999 | RDKit |
| 0.4881 | RDKit | |
| Molar Refractivity | 37.4758 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 144.078644244 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
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MW = 144.17 g/mol. Edit any field — others recompute live.
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