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Basic Information
CAS No.: 57650-78-9
Name: 1-(4-Phenoxyphenoxy)-2-propanol
Article Data: 4
Molecular Structure:
Molecular Structure of 57650-78-9 (1-(4-Phenoxyphenoxy)-2-propanol)
Formula: C15H16O3
Molecular Weight: 244.29
Synonyms: 1-(4-Phenoxyphenoxy)propan-2-ol;2-Propanol, 1-(4-phenoxyphenoxy)-;
Density: 1.137 g/cm3
Boiling Point: 379.258 °C at 760 mmHg
Flash Point: 183.169 °C
PSA: 38.69000
LogP: 3.23850
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Specification

The 1-(4-Phenoxyphenoxy)-2-propanol, with the CAS registry number 57650-78-9, is also known as 2-Propanol, 1-(4-phenoxyphenoxy)-. This chemical's molecular formula is C15H16O3 and molecular weight is 244.29. What's more, its systematic name is 1-(4-phenoxyphenoxy)propan-2-ol.

Physical properties of 1-(4-Phenoxyphenoxy)-2-propanol are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112; (6)ACD/BCF (pH 7.4): 112; (7)ACD/KOC (pH 5.5): 1019; (8)ACD/KOC (pH 7.4): 1019; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.69 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 70.134 cm3; (15)Molar Volume: 214.919 cm3; (16)Polarizability: 27.803×10-24cm3; (17)Surface Tension: 42.502 dyne/cm; (18)Density: 1.137 g/cm3; (19)Flash Point: 183.169 °C; (20)Enthalpy of Vaporization: 66.167 kJ/mol; (21)Boiling Point: 379.258 °C at 760 mmHg.

Preparation: this chemical can be prepared by 2-(4-phenoxy-phenoxymethyl)-oxirane. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran with the reaction time of 5 hours. The yield is about 88%.

1-(4-Phenoxyphenoxy)-2-propanol can be prepared by 2-(4-phenoxy-phenoxymethyl)-oxirane

Uses of 1-(4-Phenoxyphenoxy)-2-propanol: it can be used to produce carbonic acid ethyl ester 1-methyl-2-(4-phenoxy-phenoxy)-ethyl ester at the ambient temperature. It will need solvent pyridine. The yield is about 56%.

1-(4-Phenoxyphenoxy)-2-propanol can be used to produce carbonic acid ethyl ester 1-methyl-2-(4-phenoxy-phenoxy)-ethyl ester at the ambient temperature

You can still convert the following datas into molecular structure:
(1)SMILES: O(c2ccc(Oc1ccccc1)cc2)CC(O)C
(2)InChI: InChI=1S/C15H16O3/c1-12(16)11-17-13-7-9-15(10-8-13)18-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3
(3)InChIKey: RVAHBQKJLFMRFE-UHFFFAOYSA-N