CAS No.66648-50-8,ETHYL 3,4-DIHYDROXYCINNAMATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66648-50-8
Name:	ETHYL 3,4-DIHYDROXYCINNAMATE
Article Data:	50

Formula:	C₁₁H₁₂O₄
Molecular Weight:	208.214
Synonyms:	2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, ethyl ester;
Density:	1.271 g/cm³
Melting Point:	147～151℃
Boiling Point:	377 °C at 760 mmHg
Flash Point:	148.4 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36
PSA:	66.76000
LogP:	1.67410

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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