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Ethyl 4-(2-hydroxyphenyl)butanoate

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Name

Ethyl 4-(2-hydroxyphenyl)butanoate

EINECS N/A
CAS No. 20921-17-9 Density 1.094 g/cm3
PSA 46.53000 LogP 2.27800
Solubility N/A Melting Point N/A
Formula C12H16O3 Boiling Point 325 °C at 760 mmHg
Molecular Weight 208.257 Flash Point 134.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20921-17-9 (ethyl 4-(2-hydroxyphenyl)butanoate) Hazard Symbols N/A
Synonyms

Butyricacid, 4-(o-hydroxyphenyl)-, ethyl ester (8CI);

Article Data 2

Ethyl 4-(2-hydroxyphenyl)butanoate 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:
(1)SMILES: Oc1ccccc1CCCC(=O)OCC
(2)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
(3)InChIKey: PMAGNPUYRNUCQU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: PMAGNPUYRNUCQU-UHFFFAOYSA-N

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