CAS No.699-91-2,NSC 46633 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	699-91-2
Name:	NSC 46633
Article Data:	28

Formula:	C₉H₁₀O₂
Molecular Weight:	150.177
Synonyms:	2-Hydroxy-3-methylacetophenone;1-(2-hydroxy-3-methyl-phenyl)ethanone;Acetophenone, 2-hydroxy-3-methyl-;
Density:	1.106 g/cm³
Boiling Point:	238.1 °C at 760 mmHg
Flash Point:	97.2 °C
PSA:	37.30000
LogP:	1.90320

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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