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55468-88-7

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Basic Information
CAS No.: 55468-88-7
Name: Phenoxyethylparaben
Molecular Structure:
Molecular Structure of 55468-88-7 (Phenoxyethylparaben)
Formula: C15H14O4
Molecular Weight: 258.274
Synonyms: Undebenzophene;4-Hydroxybenzoic acid 2-phenoxyethyl ester;2-Phenoxyethyl 4-hydroxybenzoate;
EINECS: 259-654-2
Density: 1.226 g/cm3
Melting Point: 118-119 °C
Boiling Point: 434.5 °C at 760 mmHg
Flash Point: 163.8 °C
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Specification

The Benzoic acid,4-hydroxy-, 2-phenoxyethyl ester, with the CAS registry number 55468-88-7, is also known as 4-Hydroxybenzoic acid 2-phenoxyethyl ester. Its EINECS number is 259-654-2. This chemical's molecular formula is C15H14O4 and molecular weight is 258.27. What's more, its systematic name is 2-phenoxyethyl 4-hydroxybenzoate.

Physical properties of Benzoic acid,4-hydroxy-, 2-phenoxyethyl ester are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 164.05; (6)ACD/BCF (pH 7.4): 137.9; (7)ACD/KOC (pH 5.5): 1339.01; (8)ACD/KOC (pH 7.4): 1125.57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 70.79 cm3; (15)Molar Volume: 210.6 cm3; (16)Polarizability: 28.06×10-24cm3; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.226 g/cm3; (19)Flash Point: 163.8 °C; (20)Enthalpy of Vaporization: 71.73 kJ/mol; (21)Boiling Point: 434.5 °C at 760 mmHg; (22)Vapour Pressure: 3.71E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOc1ccccc1)c2ccc(O)cc2
(2)Std. InChI: InChI=1S/C15H14O4/c16-13-8-6-12(7-9-13)15(17)19-11-10-18-14-4-2-1-3-5-14/h1-9,16H,10-11H2
(3)Std. InChIKey: GGPOVLCFVFOVDF-UHFFFAOYSA-N