| Identification | |
| Name: | Benzenebutanoicacid, 2-hydroxy-, ethyl ester |
| Synonyms: | Butyricacid, 4-(o-hydroxyphenyl)-, ethyl ester (8CI) |
| CAS: | 20921-17-9 |
| Molecular Formula: | C12H16 O3 |
| Molecular Weight: | 208.25 |
| InChI: | InChI=1/C12H16O3/c1-2-15-12(14)9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8,13H,2,5,7,9H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.094 |
| Refractive index: | 1.521 |
| Specification: |
The Ethyl 4-(2-hydroxyphenyl)butanoate, with CAS registry number 20921-17-9, has the systematic name of ethyl 4-(2-hydroxyphenyl)butanoate. Besides this, it is also called benzenebutanoic acid, 2-hydroxy-, ethyl ester. And the chemical formula of this chemical is C12H16O3. Its molecular weight is 208.25. Physical properties of Ethyl 4-(2-hydroxyphenyl)butanoate: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.32; (6)ACD/BCF (pH 7.4): 52.26; (7)ACD/KOC (pH 5.5): 591.34; (8)ACD/KOC (pH 7.4): 590.65; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 57.99 cm3; (15)Molar Volume: 190.1 cm3; (16)Polarizability: 22.98×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Enthalpy of Vaporization: 58.96 kJ/mol; (19)Vapour Pressure: 0.000125 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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