Back to Search
Molecule
Octyl Methoxycinnamate
CAS: 5466-77-3 · C18H26O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5466-77-3
- Molecular Formula
- C18H26O3
- Molecular Mass
- 290.40 g/mol
Identifiers
CAS Registry Number
5466-77-3
SMILES
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
InChI Key
YBGZDTIWKVFICR-UHFFFAOYSA-N
InChI
InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3
Names and Synonyms
- Octyl Methoxycinnamate Common Name
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester Synonym
- Parsol MCX Synonym
- 2-Ethylhexyl p-methoxycinnamate Synonym
- Neo Heliopan AV Synonym
- Sunscreen AV Synonym
- 2-Ethylhexyl 4-methoxycinnamate Synonym
- Ethylhexyl p-methoxycinnamate Synonym
- Octyl 4-methoxycinnamate Synonym
- Octyl p-methoxycinnamate Synonym
- Parsol MCX-SA Synonym
- Escalol 557 Synonym
- p-Methoxycinnamic acid 2-ethylhexyl ester Synonym
- Uvinul 3088 Synonym
- Eusolex 2292 Synonym
- Uvinul MC 80 Synonym
- Octinoxate Synonym
- Uvinul MC 80N Synonym
- Octyl methoxycinnamate Synonym
- 4-Methoxycinnamic acid 2-ethylhexyl ester Synonym
- Parsol MOX Synonym
- Tinosorb OMC Synonym
- Escalol 557T Synonym
- NSC 26466 Synonym
- Escalol 557NB Synonym
- Uvinul MC 90 Synonym
- Jeescreen OMC Synonym
- Sun Caps 664 Synonym
- Solarom OMC Synonym
- Ethylhexyl methoxycinnamate Synonym
- 2-Ethylhexyl methoxycinnamate Synonym
- 3-(4-Methoxyphenyl)-2-propenoic acid 2-ethylhexyl ester Synonym
- Nomcort TAB-R Synonym
- Nomcort TAB Synonym
- Uvinal MC 80 Synonym
- 2-Ethylhexyl3-(4-methoxyphenyl)acrylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.40 g/mol | CAS Common Chemistry |
| 290.403 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octyl_methoxycinnamate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(CC)CCCC)C=CC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YBGZDTIWKVFICR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Ethylhexyl 4-methoxycinnamate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 4.468000000000004 | RDKit |
| 4.468 | RDKit | |
| 4.42 | chempirical lib | |
| Molar Refractivity | 86.29300000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 290.18819469199997 g/mol | RDKit |
| Boiling Point | 140-150 °C @ 0.076 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 290.40 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H26O3.
