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| CAS No.: | 2979-06-8 |
|---|---|
| Name: | P-hydroxyl ethyl cinnaMate |
| Article Data: | 83 |
| Molecular Structure: | |
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| Formula: | C11H12O3 |
| Molecular Weight: | 192.214 |
| Synonyms: | ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate;Ethyl (2E)-3-(4-hydroxyphenyl)-2-propenoate;p-Hydroxycinnamic acid, ethyl ester;P-hydroxyl ethyl cinnamate; |
| Density: | 1.162 g/cm3 |
| Melting Point: | 73～74℃ |
| Boiling Point: | 320.2 °C at 760 mmHg |
| Flash Point: | 136.5 °C |
| PSA: | 46.53000 |
| LogP: | 1.96850 |
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Specification
The Ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, with the CAS registry number 2979-06-8, has the systematic name of ethyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C11H12O3.
The characteristics of Ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate are as followings: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 55.06 cm3; (9)Molar Volume: 165.3 cm3; (10)Polarizability: 21.82×10-24cm3; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.162 g/cm3; (13)Flash Point: 136.5 °C; (14)Enthalpy of Vaporization: 58.42 kJ/mol; (15)Boiling Point: 320.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000172 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)/C=C/c1ccc(O)cc1
(2)InChI: InChI=1/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
(3)InChIKey: ZOQCEVXVQCPESC-VMPITWQZBH