Ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate supplier

Name
ETHYL 3,4-DIHYDROXYCINNAMATE
EINECS
CAS No. 66648-50-8
Article Data50
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 147～151℃
Formula C₁₁H₁₂O₄
Boiling Point 377 °C at 760 mmHg
Molecular Weight 208.214
Flash Point 148.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester;
PSA 66.76000
LogP 1.67410

Ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Specification

The Ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, with the CAS registry number 66648-50-8, is also known as 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester. It belongs to the product categories of AlcohoL; Aromatic Esters. This chemical's molecular formula is C₁₁H₁₂O₄ and molecular weight is 208.2106. Its systematic name is called ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

Physical properties of Ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate: (1)ACD/LogP: 1.72; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.93; (5)ACD/BCF (pH 7.4): 11.24; (6)ACD/KOC (pH 5.5): 205.19; (7)ACD/KOC (pH 7.4): 193.39; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.612; (12)Molar Refractivity: 56.94 cm³; (13)Molar Volume: 163.7 cm³; (14)Surface Tension: 54.3 dyne/cm; (15)Density: 1.271 g/cm³; (16)Flash Point: 148.4 °C; (17)Enthalpy of Vaporization: 64.92 kJ/mol; (18)Boiling Point: 377 °C at 760 mmHg; (19)Vapour Pressure: 3.22E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)\C=C\c1cc(O)c(O)cc1
(2)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+
(3)InChIKey: WDKYDMULARNCIS-GQCTYLIABL

Product Name

ETHYL 3,4-DIHYDROXYCINNAMATE

Ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Specification

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