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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
Names and Synonyms:
Octyl Methoxycinnamate
2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
Parsol MCX
2-Ethylhexyl p-methoxycinnamate
Neo Heliopan AV
Sunscreen AV
2-Ethylhexyl 4-methoxycinnamate
Ethylhexyl p-methoxycinnamate
Octyl 4-methoxycinnamate
Octyl p-methoxycinnamate
Parsol MCX-SA
Escalol 557
p-Methoxycinnamic acid 2-ethylhexyl ester
Uvinul 3088
Eusolex 2292
Uvinul MC 80
Octinoxate
Uvinul MC 80N
Octyl methoxycinnamate
4-Methoxycinnamic acid 2-ethylhexyl ester
Parsol MOX
Tinosorb OMC
Escalol 557T
NSC 26466
Escalol 557NB
Uvinul MC 90
Jeescreen OMC
Sun Caps 664
Solarom OMC
Ethylhexyl methoxycinnamate
2-Ethylhexyl methoxycinnamate
3-(4-Methoxyphenyl)-2-propenoic acid 2-ethylhexyl ester
Nomcort TAB-R
Nomcort TAB
Uvinal MC 80
2-Ethylhexyl3-(4-methoxyphenyl)acrylate
Identifiers:
SMILES:
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
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
Key Properties
Boiling Point
140-150 °C @ Press: 0.076 Torr
CAS Common Chemistry
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 | 290.40 g/mol | CAS Common Chemistry |
| 290.403 g/mol | RDKit | |
| 290.18819469199997 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octyl_methoxycinnamate | CAS Common Chemistry |
| Boiling Point | 140-150 °C @ Press: 0.076 Torr | 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 |
| Octyl 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 |
| Molar Refractivity | 86.29300000000006 | RDKit |
