Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester supplier

Name
ETHYL 2-ETHOXY-3-(4-HYDROXYPHENYL)PROPIONATE
EINECS
CAS No. 197299-16-4
Article Data14
CAS DataBase
Density 1.116 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈O₄
Boiling Point 367.296 °C at 760 mmHg
Molecular Weight 238.284
Flash Point 134.932 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester;
PSA 55.76000
LogP 1.90290

Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester Specification

The Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester, with the CAS registry number 197299-16-4, is also known as 2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester. This chemical's molecular formula is C₁₃H₁₈O₄ and molecular weight is 238.2796. What's more, its systematic name which is called Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate.

Physical properties about Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester are: (1)ACD/LogP: 2.41; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 55.76 Å²; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 64.327 cm³; (9)Molar Volume: 213.435 cm³; (10)Polarizability: 25.501×10^-24cm³; (11)Surface Tension: 40.849 dyne/cm; (12)Density: 1.116 g/cm³; (13)Flash Point: 134.932 °C; (14)Enthalpy of Vaporization: 63.795 kJ/mol; (15)Boiling Point: 367.296 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(OCC)Cc1ccc(O)cc1
(2) InChI: InChI=1/C13H18O4/c1-3-16-12(13(15)17-4-2)9-10-5-7-11(14)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3
(3) InChIKey: NEJJCKFYYBEQRQ-UHFFFAOYAZ

Product Name

ETHYL 2-ETHOXY-3-(4-HYDROXYPHENYL)PROPIONATE

Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester Specification

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