Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
Butyricacid, 4-(o-hydroxyphenyl)-, ethyl ester (8CI); |
Article Data | 2 |
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