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Trimethylolpropane Formal Acrylate
CAS: 66492-51-1 | C10H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
66492-51-1
Molecular Formula:
C10H16O4
Molecular Mass:
200.23 g/mol
Names and Synonyms:
Trimethylolpropane Formal Acrylate
2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester
5-Ethyl-5-(hydroxymethyl)-1,3-dioxane acrylate
(5-Ethyl-1,3-dioxan-5-yl)methyl acrylate
5-Acryloxymethyl-5-ethyl-1,3-dioxacyclohexane
Trimethylolpropane formal acrylate
Laromer LR 8887
Laromer 8887
SR 531
Sartomer 531
EM 212
Cyclic trimethylolpropane formal acrylate
Viscoat 200
Trimethylolpropane cyclic formal acrylate
Cyclotrimethylolpropaneformyl acrylate
(5-Ethyl-1,3-dioxan-5-yl)methyl prop-2-enoate
SR 531NS
Identifiers:
SMILES:
C=CC(=O)OCC1(CC)COCOC1
InChI:
InChI=1S/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.23 g/mol | CAS Common Chemistry |
| 200.23399999999995 g/mol | RDKit | |
| 200.104858992 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1(COCOC1)CC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O4/c1-3-9(11)14-7-10(4-2)5-12-8-13-6-10/h3H,1,4-8H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=STGXUBIZGYMIRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trimethylolpropane formal acrylate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 1.1162999999999998 | RDKit |
| Molar Refractivity | 50.65100000000004 | RDKit |
