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2'-Methyl-4'-hydroxyacetophenone

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Name

2'-Methyl-4'-hydroxyacetophenone

EINECS 212-874-2
CAS No. 875-59-2 Density 1.106 g/cm3
PSA 37.30000 LogP 1.90320
Solubility N/A Melting Point 129-131 °C(lit.)
Formula C9H10O2 Boiling Point 313 °C at 760 mmHg
Molecular Weight 150.177 Flash Point 127.9 °C
Transport Information N/A Appearance off-white to beige crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 875-59-2 (4'-HYDROXY-2'-METHYLACETOPHENONE) Hazard Symbols IrritantXi
Synonyms

Acetophenone,4'-hydroxy-2'-methyl- (7CI,8CI);1-(4-Hydroxy-2-methylphenyl)ethanone;2-Methyl-4-hydroxyacetophenone;4-Acetyl-3-methylphenol;4'-Hydroxy-2'-methylacetophenone;NSC 63364;4-Hydroxy-2-methylacetophenone;

Article Data 33

2'-Methyl-4'-hydroxyacetophenone Specification

The Ethanone,1-(4-hydroxy-2-methylphenyl)-, with CAS registry number 875-59-2, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)C9; (3)Carbonyl Compounds; (4)Ketones. Its systematic name and its IUPAC name are the same, which is 1-(4-hydroxy-2-methyl-phenyl)ethanone. And this chemical is a kind of off-white to beige crystalline powder.

Physical properties of Ethanone,1-(4-hydroxy-2-methylphenyl)-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.83; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 37.3 Å2; (9)Index of Refraction: 1.546; (10)Molar Refractivity: 42.98 cm3; (11)Molar Volume: 135.6 cm3; (12)Polarizability: 17.04×10-24cm3; (13)Surface Tension: 41.8 dyne/cm; (14)Enthalpy of Vaporization: 57.61 kJ/mol; (15)Vapour Pressure: 0.000278 mmHg at 25°C.

Uses of Ethanone,1-(4-hydroxy-2-methylphenyl)- : it can be used to produce 1-(4-methoxy-2-methyl-phenyl)-ethanone. This reaction will need reagent sodium carbonate and solvent acetonitrile.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-hydroxy-2-methylphenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(C)c1ccc(O)cc1C
(2)InChI: InChI=1/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3
(3)InChIKey: IAMNVCJECQWBLZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3
(5)Std. InChIKey: IAMNVCJECQWBLZ-UHFFFAOYSA-N

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