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Ethyl (E)-4-Methoxycinnamate
CAS: 24393-56-4 | C12H14O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
24393-56-4
Molecular Formula:
C12H14O3
Molecular Mass:
206.24 g/mol
Names and Synonyms:
Ethyl (E)-4-Methoxycinnamate
2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (2E)-
2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (E)-
Ethyl (E)-p-methoxycinnamate
Ethyl trans-p-methoxycinnamate
Ethyl (E)-3-(p-methoxyphenyl)-2-propenoate
Ethyl (E)-3-(4-methoxyphenyl)-2-propenoate
(E)-Ethyl 4-methoxycinnamate
Ethyl (E)-4-methoxycinnamate
Ethyl trans-4-methoxycinnamate
Solaboost SPF
(2E)-3-(4-Methoxyphenyl)-2-propenoic acid ethyl ester
trans-p-Methoxycinnamic acid ethyl ester
(E)-Ethyl 3-(4-methoxyphenyl)acrylate
Ethyl 4-methoxy-trans-cinnamate
(E)-Ethyl 3-(4-methoxyphenyl)acrylate
Ethyl (E)-3-(4-methoxyphenyl)acrylate
Identifiers:
SMILES:
CCOC(=O)/C=C/c1ccc(OC)cc1
InChI:
InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+
Key Properties
Boiling Point
120 °C @ Press: 0.3 Torr
CAS Common Chemistry
Melting Point
49.5-51 °C @ Solvent: Ligroine
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 | 206.24 g/mol | CAS Common Chemistry |
| 206.24099999999999 g/mol | RDKit | |
| 206.094294308 g/mol | RDKit | |
| Boiling Point | 120 °C @ Press: 0.3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)C=CC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3/b9-6+ | CAS Common Chemistry |
| InChI Key | InChIKey=DHNGCHLFKUPGPX-RMKNXTFCSA-N | CAS Common Chemistry |
| Melting Point | 49.5-51 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | Ethyl (E)-4-methoxycinnamate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.2715000000000005 | RDKit |
| Molar Refractivity | 58.66100000000004 | RDKit |
