[4-(acetyloxy)phenyl]acetic acid

The Benzeneacetic acid, 4-(acetyloxy)-, with the CAS registry number 38177-33-2, is also known as [4-(Acetyloxy)phenyl]acetic acid. This chemical's molecular formula is C₁₀H₁₀O₄ and molecular weight is 194.184. What's more, its IUPAC name is 2-(4-Acetyloxyphenyl)acetic acid.

Physical properties about Benzeneacetic acid, 4-(acetyloxy)- are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.36; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 52.6 Å²; (10)Index of Refraction: 1.543; (11)Molar Refractivity: 48.7 cm³; (12)Molar Volume: 154.5 cm³; (13)Polarizability: 19.3×10^-24 cm³; (14)Surface Tension: 48.2 dyne/cm; (15)Density: 1.256 g/cm³; (16)Flash Point: 137.5 °C; (17)Enthalpy of Vaporization: 62.06 kJ/mol; (18)Boiling Point: 344.1 °C at 760 mmHg; (19)Vapour Pressure: 2.57E-05 mmHg at 25 °C.

Preparation of Benzeneacetic acid, 4-(acetyloxy)-: this chemical is prepared by reaction of (4-Hydroxy-phenyl)-acetic acid with Acetic acid anhydrid. The reaction needs reagent conc. H₂SO₄. The reaction time is 2 hours with reaction temperature of 50-60 °C. The yield is about 85 %.

Uses of Benzeneacetic acid, 4-(acetyloxy)-: it is used to produce other chemicals. For example, it is used to produce p-Acetoxyphenylacetic anhydride by heating. This reaction needs reagents Thionyl chloride and Pyridine. Meanwhile, it needs solvent Benzene. The reaction time is 30 minutes. The yield is about 73 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)CC(=O)O)C
(2) InChI: InChI=1/C10H10O4/c1-7(11)14-9-4-2-8(3-5-9)6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
(3) InChIKey: WCTJRKVPYCQVQM-UHFFFAOYAH