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Cas Database |
| Name |
Ethyl caffeate |
EINECS | N/A |
| CAS No. | 102-37-4 | Density | 1.271g/cm3 |
| PSA | 66.76000 | LogP | 1.67410 |
| Solubility | N/A | Melting Point |
149.5 °C |
| Formula | C11H12O4 | Boiling Point | 377 °C at 760 mmHg |
| Molecular Weight | 208.214 | Flash Point | 148.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cinnamicacid, 3,4-dihydroxy-, ethyl ester (6CI,7CI,8CI);Caffeic acid ethyl ester;Ethyl 3,4-dihydroxycinnamate;Ethyl caffeoate;2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester;2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester, (2E)-; |
Article Data | 50 |
Ethyl caffeate Chemical Properties
Molecular Structure of Ethyl caffeate (CAS NO.102-37-4):
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IUPAC Name: ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Empirical Formula: C11H12O4
Molecular Weight: 208.2106
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 44.76Å2
Index of Refraction: 1.612
Molar Refractivity: 56.94 cm3
Molar Volume: 163.7 cm3
Surface Tension: 54.3 dyne/cm
Density: 1.271 g/cm3
Flash Point: 148.4 °C
Enthalpy of Vaporization: 64.92 kJ/mol
Boiling Point: 377 °C at 760 mmHg
Vapour Pressure: 3.22E-06 mmHg at 25°C
InChI
InChI=1/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
Smiles
CCOC(=O)\C=C\c1cc(O)c(O)cc1
Ethyl caffeate Specification
Ethyl caffeate , with CAS number of 102-37-4, can be called Caffeic acid ethyl ester ; Ethyl 3,4-dihydroxycinnamate ; Ethyl caffeoate ; Cinnamicacid, 3,4-dihydroxy-, ethyl ester (6CI,7CI,8CI) ; 2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester, (2E)- ; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester .
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