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CAS No.: | 54696-05-8 |
---|---|
Name: | 4'-Benzyloxyacetophenone |
Article Data: | 101 |
Molecular Structure: | |
Formula: | C15H14O2 |
Molecular Weight: | 226.275 |
Synonyms: | Acetophenone,4'-(benzyloxy)- (6CI,7CI);1-(4-Benzyloxyphenyl)ethanone;1-(4-Phenylmethoxyphenyl)ethanone;4-Acetylphenyl benzyl ether;4-Benzyloxyacetophenone;4'-Benzyloxyacetophenone;NSC 56945;p-(Benzyloxy)acetophenone;p-(Phenylmethoxy)acetophenone; |
EINECS: | -0 |
Density: | 1.1 g/cm3 |
Melting Point: | 91-94 °C |
Boiling Point: | 378.6 °C at 760 mmHg |
Flash Point: | 172.3 °C |
Solubility: | soluble in water |
Appearance: | white to cream crystalline powder |
Safety: | 24/25 |
PSA: | 26.30000 |
LogP: | 3.46820 |
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The IUPAC name of Ethanone,1-[4-(phenylmethoxy)phenyl]- is 1-(4-phenylmethoxyphenyl)ethanone. With the CAS registry number 54696-05-8, it is also named as 4'-Benzyloxyacetophenone. The product is soluble in water. Besides, it is white to cream crystalline powder, which should be stored in sealed container in cool and dry place. And you should ensure that workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C15H14O2 and molecular weight is 226.28. When you are using this chemical, you should avoid contact with skin and eyes.
The other characteristics of this product can be summarized as: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 26.3 Å2; (5)Index of Refraction: 1.569; (6)Molar Refractivity: 67.44 cm3; (7)Molar Volume: 205.6 cm3; (8)Polarizability: 26.73×10-24cm3; (9)Surface Tension: 41.2 dyne/cm; (10)Density: 1.1 g/cm3; (11)Flash Point: 172.3 °C; (12)Melting point: 91-94 °C; (13)Enthalpy of Vaporization: 62.65 kJ/mol; (14)Boiling Point: 378.6 °C at 760 mmHg; (15)Vapour Pressure: 6.21E-06 mmHg at 25 °C.
Preparation of Ethanone,1-[4-(phenylmethoxy)phenyl]-: this chemical can be prepared by Chloromethyl-benzene and 1-(4-Hydroxy-phenyl)-ethanone.
This reaction needs K2CO3 and Dimethylformamide at temperature of 90 °C. The reaction time is 3 hours. The yield is 64.6 %.
Uses of Ethanone,1-[4-(phenylmethoxy)phenyl]-: it can be used to produce 1-(4-Benzyloxy-phenyl)-2-bromo-ethanone.
This reaction needs Br2, conc. aq. HCl and methanol at temperature of 0-20 °C. The yield is 90 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(c2ccc(OCc1ccccc1)cc2)C
(2)InChI: InChI=1/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
(3)InChIKey: MKYMYZJJFMPDOA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H14O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
(5)Std. InChIKey: MKYMYZJJFMPDOA-UHFFFAOYSA-N