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5451-83-2

Basic Information
CAS No.: 5451-83-2
Name: 3-METHOXYPHENYL ACETATE
Article Data: 28
Molecular Structure:
Molecular Structure of 5451-83-2 (3-METHOXYPHENYL ACETATE)
Formula: C9H10O3
Molecular Weight: 166.177
Synonyms: 3-Methoxyphenyl acetate;m-Acetanisole;m-Acetoxyanisole;m-Anisylacetate;m-Methoxyphenyl acetate;
Density: 1.099 g/cm3
Boiling Point: 247.6 °C at 760 mmHg
Flash Point: 97.1 °C
PSA: 35.53000
LogP: 1.62050
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Specification

The Phenol, 3-methoxy-,1-acetate, with the CAS registry number 5451-83-2, is also known as 1-Acetoxy-3-methoxybenzene. It belongs to the product categories of Anisole; Anisoles, Alkyloxy Compounds & Phenylacetates. This chemical's molecular formula is C9H10O3 and molecular weight is 166.17. What's more, its IUPAC name is (3-Methoxyphenyl) acetate.

Physical properties of Phenol, 3-methoxy-,1-acetate are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.36; (6)ACD/BCF (pH 7.4): 9.36; (7)ACD/KOC (pH 5.5): 172.53; (8)ACD/KOC (pH 7.4): 172.53; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 44.27 cm3; (15)Molar Volume: 151 cm3; (16)Polarizability: 17.55×10-24 cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 97.1 °C; (20)Enthalpy of Vaporization: 48.48 kJ/mol; (21)Boiling Point: 247.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0254 mmHg at 25 °C.

Uses of Phenol, 3-methoxy-,1-acetate: it can be used to produce 1-(2-hydroxy-4-methoxy-phenyl)-ethanone by heating. It will need reagent Lewis acid and solvent nitrobenzene.

Phenol, 3-methoxy-,1-acetate can be used to produce 1-(2-hydroxy-4-methoxy-phenyl)-ethanone by heating.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC1=CC(=CC=C1)OC
(2)InChI: InChI=1S/C9H10O3/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-6H,1-2H3
(3)InChIKey: QQYNGKGFOZQMHD-UHFFFAOYSA-N