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Molecule
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
Identifiers
CAS Registry Number
4813-57-4
SMILES
C=CC(=O)OCCCCCCCCCCCCCCCCCC
InChI Key
FSAJWMJJORKPKS-UHFFFAOYSA-N
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
Names and Synonyms
- Stearyl Acrylate Synonym
- 2-Propenoic acid, octadecyl ester Synonym
- Acrylic acid, octadecyl ester Synonym
- 1-Octadecanol, acrylate Synonym
- Stearyl acrylate Synonym
- n-Octadecyl acrylate Synonym
- Octadecyl acrylate Synonym
- SR 257 Synonym
- Light Acrylate S-A Synonym
- Blemmer SA Synonym
- Exceparl S Synonym
- Viscoat STA Synonym
- STA Synonym
- SR 257C Synonym
- SR 586 Synonym
- EM 218 Synonym
- SA 001 Synonym
- TQ 10 Synonym
- Sartomer SR 257 Synonym
- Miramer M 180 Synonym
- Miramer M 181 Synonym
- SA 1618F Synonym
- A 1011 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.55 g/mol | CAS Common Chemistry |
| 324.5490000000001 g/mol | RDKit | |
| 324.549 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 |
| 6.9771 | RDKit | |
| 7.2 | chempirical lib | |
| Molar Refractivity | 100.70200000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 324.30283052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
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| 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 = 324.55 g/mol. Edit any field — others recompute live.
