CAS No.7250-94-4,2-ACETOXYACETOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7250-94-4
Name:	2-ACETOXYACETOPHENONE
Article Data:	58

Formula:	C₁₀H₁₀O₃
Molecular Weight:	178.188
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;
EINECS:	-0
Density:	1.123 g/cm³
Melting Point:	89-90 °C
Boiling Point:	279.4 °C at 760 mmHg
Flash Point:	120.6 °C
Solubility:	Insoluble in water
Appearance:	white to light yellow-grey crystalline powder
Safety:	24/25
PSA:	43.37000
LogP:	1.81450

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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