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Molecule
2-Hydroxypropyl Acrylate
CAS: 999-61-1 · C6H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 999-61-1
- Molecular Formula
- C6H10O3
- Molecular Mass
- 130.14 g/mol
Identifiers
CAS Registry Number
999-61-1
SMILES
C=CC(=O)OCC(C)O
InChI Key
GWZMWHWAWHPNHN-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3
Names and Synonyms
- 2-Hydroxypropyl Acrylate Synonym
- 2-Propenoic acid, 2-hydroxypropyl ester Synonym
- Acrylic acid, 2-hydroxypropyl ester Synonym
- 1,2-Propanediol, 1-acrylate Synonym
- 2-Hydroxypropyl acrylate Synonym
- β-Hydroxypropyl acrylate Synonym
- Light Ester HOP-A Synonym
- Kayarad HPA Synonym
- HPA Synonym
- Bisomer HPA Synonym
- 2HPA Synonym
- HOP-A Synonym
- 2-Hydroxy-2-methylethyl acrylate Synonym
- Light Ester HOP-A(N) Synonym
- Light Acrylate HO-P Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.14 g/mol | CAS Common Chemistry |
| 130.143 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.06 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 225 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(O)C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GWZMWHWAWHPNHN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Hydroxypropyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 0.09639999999999987 | RDKit |
| 0.0964 | RDKit | |
| Molar Refractivity | 32.83679999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 130.06299418 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 = 130.14 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10O3.
