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75230-41-0

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Basic Information
CAS No.: 75230-41-0
Name: 4'-(2-ACETOXYETHOXY)ACETOPHENONE
Article Data: 2
Molecular Structure:
Molecular Structure of 75230-41-0 (4'-(2-ACETOXYETHOXY)ACETOPHENONE)
Formula: C12H14O4
Molecular Weight: 222.24
Synonyms: 1-Acetoxy-2-(4-acetylphenoxy)ethane;
Density: 1.122 g/cm3
Melting Point: 64 °C
Boiling Point: 338.6 °C at 760 mmHg
Flash Point: 148.9 °C
PSA: 52.60000
LogP: 1.83110
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Specification

The Ethanone, 1-[4-[2-(acetyloxy)ethoxy]phenyl]- is an organic compound with the formula C12H14O4. The systematic name of this chemical is 2-(4-acetylphenoxy)ethyl acetate. With the CAS registry number 75230-41-0, it is also named as 4'-(2-Acetoxyethoxy)acetophenone. Besides, it should be stored in a closed cool and dry place.

Physical properties about Ethanone, 1-[4-[2-(acetyloxy)ethoxy]phenyl]- are: (1)ACD/LogP: 1.22; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 4.95; (5)ACD/BCF (pH 7.4): 4.95; (6)ACD/KOC (pH 5.5): 109.39; (7)ACD/KOC (pH 7.4): 109.39; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 58.63 cm3; (13)Molar Volume: 197.9 cm3; (14)Polarizability: 23.24×10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.122 g/cm3; (17)Flash Point: 148.9 °C; (18)Enthalpy of Vaporization: 58.19 kJ/mol; (19)Boiling Point: 338.6 °C at 760 mmHg; (20)Vapour Pressure: 9.73E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid and acetic acid-(2-phenoxy-ethyl ester). This reaction will need reagent polyphosphoric acid. The reaction time is 4 days at ambient temperature. The yield is about 68%.

Uses of Ethanone, 1-[4-[2-(acetyloxy)ethoxy]phenyl]-: it can be used to produce 1-[4-(2-hydroxy-ethoxy)-phenyl]-ethanone by heating. It will need reagent NaOH and solvent H2O, ethanol with reaction time of 10 min. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OCCOC(=O)C)cc1)C
(2)InChI: InChI=1/C12H14O4/c1-9(13)11-3-5-12(6-4-11)16-8-7-15-10(2)14/h3-6H,7-8H2,1-2H3
(3)InChIKey: KEONNVSUEWQGQT-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H14O4/c1-9(13)11-3-5-12(6-4-11)16-8-7-15-10(2)14/h3-6H,7-8H2,1-2H3
(5)Std. InChIKey: KEONNVSUEWQGQT-UHFFFAOYS