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2-Acetyl-6-methylphenol

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Name

2-Acetyl-6-methylphenol

EINECS N/A
CAS No. 699-91-2 Density 1.106 g/cm3
PSA 37.30000 LogP 1.90320
Solubility N/A Melting Point N/A
Formula C9H10O2 Boiling Point 238.1 °C at 760 mmHg
Molecular Weight 150.177 Flash Point 97.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 699-91-2 (NSC 46633) Hazard Symbols N/A
Synonyms

2-Hydroxy-3-methylacetophenone;1-(2-hydroxy-3-methyl-phenyl)ethanone;Acetophenone, 2-hydroxy-3-methyl-;

Article Data 28

2-Acetyl-6-methylphenol Specification

This chemical is called Ethanone, 1-(2-hydroxy-3-methylphenyl)-, and its CAS registry number is 699-91-2. With the molecular formula of C9H10O2, its molecular weight is . The  of this chemical is 150.17.

Other characteristics of the Ethanone, 1-(2-hydroxy-3-methylphenyl)- can be summarised as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.546; (8)Molar Refractivity: 42.98 cm3; (9)Molar Volume: 135.6 cm3; (10)Polarizability: 17.04×10-24cm3; (11)Surface Tension: 41.8 dyne/cm; (12)Density: 1.106 g/cm3; (13)Flash Point: 97.2 °C; (14)Enthalpy of Vaporization: 49.42 kJ/mol; (15)Boiling Point: 238.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0281 mmHg at 25°C.

Uses of this chemical: The Ethanone, 1-(2-hydroxy-3-methylphenyl)- could react with thiophene-2-carboxylic acid to obtain the thiophene-2-carboxylic acid 2-acetyl-6-methyl-phenyl ester. This reaction needs the reagents of Pyridine, POCl3. The yield is 78 %. In addition, this reaction should be taken for 2 hours.

The Ethanone, 1-(2-hydroxy-3-methylphenyl)- could react with thiophene-2-carboxylic acid to obtain the thiophene-2-carboxylic acid 2-acetyl-6-methyl-phenyl ester

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1cccc(c1O)C)C
2.InChI: InChI=1/C9H10O2/c1-6-4-3-5-8(7(2)10)9(6)11/h3-5,11H,1-2H3
3.InChIKey: GUGXENROMIJRPN-UHFFFAOYAY

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