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2-Hydroxypropyl Acrylate
CAS: 999-61-1 | C6H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
999-61-1
Molecular Formula:
C6H10O3
Molecular Weight:
130.143 g/mol
Names and Synonyms:
2-Hydroxypropyl Acrylate
2-Propenoic acid, 2-hydroxypropyl ester
Acrylic acid, 2-hydroxypropyl ester
1,2-Propanediol, 1-acrylate
2-Hydroxypropyl acrylate
β-Hydroxypropyl acrylate
Light Ester HOP-A
Kayarad HPA
HPA
Bisomer HPA
2HPA
HOP-A
2-Hydroxy-2-methylethyl acrylate
Light Ester HOP-A(N)
Light Acrylate HO-P
Identifiers:
SMILES:
C=CC(=O)OCC(C)O
InChI:
InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3
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 |
|---|---|---|
| molecular_mass | 130.14 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database |
| cas-boiling-point | 225 °C None | Legacy Database |
| cas-canonical-smile | O=C(OCC(O)C)C=C None | Legacy Database |
| cas-density | 1.06 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GWZMWHWAWHPNHN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Hydroxypropyl acrylate None | Legacy Database |
| LogP | 0.09639999999999987 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.143 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.06299418 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.83679999999998 | RDKit |
