| Identification | |
| Name: | Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester,(aS)- |
| Synonyms: | (2S)-2-Ethoxy-3-(4-hydroxyphenyl)propionicacid ethyl ester; (S)-(-)-Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate;(S)-(-)-Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propionate;(S)-2-Ethoxy-3-(4-hydroxyphenyl)propionic acid ethyl ester; Ethyl(2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate; Ethyl(2S)-2-ethoxy-3-(4-hydroxyphenyl)propionate; Ethyl (S)-3-(4-hydroxyphenyl)-2-ethoxypropionate;Ethyl 2-(S)-ethoxy-3-(4-hydroxyphenyl)propanoate; ethyl(S)-2-ethoxy-3-(4-hydroxyphenyl)propionate |
| CAS: | 222555-06-8 |
| Molecular Formula: | C13H18 O4 |
| Molecular Weight: | 0 |
| 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/t12-/m0/s1 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 134.9°C |
| Boiling Point: | 367.3°Cat760mmHg |
| Density: | 1.116g/cm3 |
| Refractive index: | 1.515 |
| Specification: |
The (S)-2-Ethoxy-3-(4-hydroxyphenyl)propionic acid ethyl ester, with cas registry number 222555-06-8, has the systematic name of ethyl (2S)-2-ethoxy-3-(4-hydroxyphenyl)propanoate. And it is also called Benzenepropanoic acid, alpha-ethoxy-4-hydroxy-, ethyl ester, (alphaS)-. Physical properties about this chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 50; (6)ACD/BCF (pH 7.4): 50; (7)ACD/KOC (pH 5.5): 572; (8)ACD/KOC (pH 7.4): 569; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.76 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 64.327 cm3; (15)Molar Volume: 213.435 cm3; (16)Polarizability: 25.501×10-24cm3; (17)Surface Tension: 40.849 dyne/cm; (18)Enthalpy of Vaporization: 63.795 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Flash Point: | 134.9°C |
| Safety Data | |
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