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2'-Acetoxyacetophenone

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Name

2'-Acetoxyacetophenone

EINECS -0
CAS No. 7250-94-4 Density 1.123 g/cm3
PSA 43.37000 LogP 1.81450
Solubility Insoluble in water Melting Point 89-90 °C
Formula C10H10O3 Boiling Point 279.4 °C at 760 mmHg
Molecular Weight 178.188 Flash Point 120.6 °C
Transport Information N/A Appearance white to light yellow-grey crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 7250-94-4 (2-ACETOXYACETOPHENONE) Hazard Symbols N/A
Synonyms

Acetophenone,2'-hydroxy-, acetate (6CI,7CI,8CI);1-(2-Acetyloxyphenyl)ethanone;2-Acetylphenyl acetate;2'-Acetoxyacetophenone;NSC 30280;o-(Acetyloxy)acetophenone;o-Acetylphenol acetate;

Article Data 58

2'-Acetoxyacetophenone Specification

The IUPAC name of 2'-Acetoxyacetophenone is (2-acetylphenyl) acetate. With the CAS registry number 7250-94-4, it is also named as o-(Acetyloxy)acetophenone. The product's category is Aromatic Acetophenones & Derivatives (substituted). Besides, it is white to light yellow-grey crystalline powder, which should be stored in sealed, cool and dry place. In addition, when you are using this chemical, please avoid contact with skin and eyes.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.46; (6)ACD/BCF (pH 7.4): 2.46; (7)ACD/KOC (pH 5.5): 66.28; (8)ACD/KOC (pH 7.4): 66.28; (9)H bond acceptors: 3; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 47.62 cm3; (15)Molar Volume: 158.5 cm3; (16)Polarizability: 18.87×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.123 g/cm3; (19)Flash Point: 120.6 °C; (20)Melting Point: 89-90 °C; (21)Enthalpy of Vaporization: 51.81 kJ/mol; (22)Boiling Point: 279.4 °C at 760 mmHg; (23)Vapour Pressure: 0.00402 mmHg at 25 °C.

Preparation of 2'-Acetoxyacetophenone: this chemical can be prepared by 1-(2-Acetoxy-phenyl)-2-bromo-ethanone.



This reaction needs Benzene and Quartz by irradiation. The yield is 89 %.

Uses of 2'-Acetoxyacetophenone: it can react with 2-Acetoxy-propene to get 1-(2-Acetoxyphenyl)vinyl acetate.



This reaction needs p-Toluenesulfonic acid at temperature of 90 °C for 3 hours. The yield is 87 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(Oc1ccccc1C(=O)C)C
(2)InChI:InChI=1/C10H10O3/c1-7(11)9-5-3-4-6-10(9)13-8(2)12/h3-6H,1-2H3
(3)InChIKey:WWEDAIJJBDFOOK-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C10H10O3/c1-7(11)9-5-3-4-6-10(9)13-8(2)12/h3-6H,1-2H3
(5)Std. InChIKey:WWEDAIJJBDFOOK-UHFFFAOYSA-N

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