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Stearyl Acrylate
CAS: 4813-57-4 | C21H40O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4813-57-4
Molecular Formula:
C21H40O2
Molecular Mass:
324.55 g/mol
Names and Synonyms:
Stearyl Acrylate
2-Propenoic acid, octadecyl ester
Acrylic acid, octadecyl ester
1-Octadecanol, acrylate
Stearyl acrylate
n-Octadecyl acrylate
Octadecyl acrylate
SR 257
Light Acrylate S-A
Blemmer SA
Exceparl S
Viscoat STA
STA
SR 257C
SR 586
EM 218
SA 001
TQ 10
Sartomer SR 257
Miramer M 180
Miramer M 181
SA 1618F
A 1011
Identifiers:
SMILES:
C=CC(=O)OCCCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3
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 | 324.55 g/mol | CAS Common Chemistry |
| 324.5490000000001 g/mol | RDKit | |
| 324.30283052 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCCCCCCCCCCCCCCCCC)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4H,2-3,5-20H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FSAJWMJJORKPKS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Stearyl acrylate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 6.977100000000008 | RDKit |
| Molar Refractivity | 100.70200000000008 | RDKit |
