CAS No.31165-67-0,2'-BENZYLOXYACETOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31165-67-0
Name:	2'-BENZYLOXYACETOPHENONE
Article Data:	42

Formula:	C₁₅H₁₄O₂
Molecular Weight:	226.275
Synonyms:	Acetophenone,2'-(benzyloxy)- (6CI,7CI,8CI);1-(2-Benzyloxyphenyl)ethanone;1-[2-(Phenylmethoxy)phenyl]ethanone;2-Benzyloxyacetophenone;2'-(Benzyloxy)acetophenone;
EINECS:	200-258-5
Density:	1.1 g/cm³
Melting Point:	38 °C
Boiling Point:	355.767 °C at 760 mmHg
Flash Point:	157.028 °C
Hazard Symbols:	Xi
Safety:	22-24/25
PSA:	26.30000
LogP:	3.46820

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Specification

The IUPAC name of Ethanone,1-[2-(phenylmethoxy)phenyl]- is 1-(2-phenylmethoxyphenyl)ethanone. With the CAS registry number 31165-67-0, it is also named as Acetophenone,2'-(benzyloxy)- (6CI,7CI,8CI). The product's category is Aromatic Acetophenones & Derivatives (substituted). Besides, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.In addition, its molecular formula is C₁₅H₁₄O₂ and molecular weight is 226.27046.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 286.49; (6)ACD/BCF (pH 7.4): 286.49; (7)ACD/KOC (pH 5.5): 1997.14; (8)ACD/KOC (pH 7.4): 1997.14; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 67.44 cm³; (15)Molar Volume: 205.6 cm³; (16)Polarizability: 26.73×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 157 °C; (20)Melting Point: 38 °C; (21)Enthalpy of Vaporization: 60.1 kJ/mol; (22)Boiling Point: 355.8 °C at 760 mmHg; (23)Vapour Pressure: 3.06E-05 mmHg at 25 °C.

Preparation of Ethanone,1-[2-(phenylmethoxy)phenyl]-: this chemical can be prepared by 1-(2-Hydroxy-phenyl)-ethanone and Chloromethyl-benzene.

This reaction needs Tetrabutylammonium bromide, aq. NaOH and CH₂Cl₂ at ambient temperature. The reaction time is 24 hours. The yield is 95 %.

Uses of Ethanone,1-[2-(phenylmethoxy)phenyl]-: it can react with Methylmagnesium iodide to get 2-(Phenylmethoxy)-a-methylstyrene.

This reaction needs H₂O, NH₄Cl and Diethyl ether by heating. The yield is 94 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c2ccccc2OCc1ccccc1)C
(2)InChI:InChI=1/C15H14O2/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
(3)InChIKey:ZJABPUSDYOXUKS-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C15H14O2/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
(5)Std. InChIKey:ZJABPUSDYOXUKS-UHFFFAOYSA-N