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72942-62-2

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Basic Information
CAS No.: 72942-62-2
Name: 2-Benzoyl-4-methylphenyloxyacetic acid ethyl ester
Article Data: 4
Molecular Structure:
Molecular Structure of 72942-62-2 (2-Benzoyl-4-methylphenyloxyacetic acid ethyl ester)
Formula: C18H18O4
Molecular Weight: 298.339
Synonyms: Aceticacid, (2-benzoyl-4-methylphenoxy)-, ethyl ester (9CI);(2-Benzoyl-4-methylphenoxy)acetic acid ethyl ester;ethyl (2-benzoyl-4-methylphenoxy)acetate;
Density: 1.143 g/cm3
Boiling Point: 457.3 °C at 760 mmHg
Flash Point: 202.1 °C
PSA: 52.60000
LogP: 3.16790
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    The Acetic acid,2-(2-benzoyl-4-methylphenoxy)-, ethyl ester, with the CAS registry number 72942-62-2, is also known as (2-Benzoyl-4-methylphenoxy)acetic acid ethyl ester. This chemical's molecular formula is C18H18O4 and molecular weight is 298

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Specification

The Acetic acid,2-(2-benzoyl-4-methylphenoxy)-, ethyl ester, with the CAS registry number 72942-62-2, is also known as (2-Benzoyl-4-methylphenoxy)acetic acid ethyl ester. This chemical's molecular formula is C18H18O4 and molecular weight is 298.33. What's more, its systematic name is ethyl (2-benzoyl-4-methylphenoxy)acetate. Its classification code is Reproductive Effect.

Physical properties of Acetic acid,2-(2-benzoyl-4-methylphenoxy)-, ethyl ester are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 233.37; (6)ACD/BCF (pH 7.4): 233.37; (7)ACD/KOC (pH 5.5): 1724.48; (8)ACD/KOC (pH 7.4): 1724.48; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 83.22 cm3; (15)Molar Volume: 260.8 cm3; (16)Polarizability: 32.99×10-24 cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.143 g/cm3; (19)Flash Point: 202.1 °C; (20)Enthalpy of Vaporization: 71.74 kJ/mol; (21)Boiling Point: 457.3 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(c1cc(ccc1OCC(=O)OCC)C)c2ccccc2
(2)InChI: InChI=1/C18H18O4/c1-3-21-17(19)12-22-16-10-9-13(2)11-15(16)18(20)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
(3)InChIKey: JWPCEGUNLXUSLI-UHFFFAOYAV