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| CAS No.: | 31165-67-0 |
|---|---|
| Name: | 2'-BENZYLOXYACETOPHENONE |
| Molecular Structure: | |
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| 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