Ethyl 4-(2-hydroxyphenyl)butanoate supplier

Name
ethyl 4-(2-hydroxyphenyl)butanoate
EINECS
CAS No. 20921-17-9
Article Data2
CAS DataBase
Density 1.094 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₃
Boiling Point 325 °C at 760 mmHg
Molecular Weight 208.257
Flash Point 134.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butyricacid, 4-(o-hydroxyphenyl)-, ethyl ester (8CI);
PSA 46.53000
LogP 2.27800

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

Product Name

ethyl 4-(2-hydroxyphenyl)butanoate

Ethyl 4-(2-hydroxyphenyl)butanoate Specification

Related Products

Hot Products