2-HYDROXY-5-METHYLBENZOPHENONE

The Methanone,(2-hydroxy-5-methylphenyl)phenyl-, with the CAS registry number 1470-57-1, is also known as NSC296. It belongs to the product categories of Aromatic Benzophenones & Derivatives (substituted); C13 to C14; Carbonyl Compounds; Ketones. Its EINECS registry number is 216-002-1. This chemical's molecular formula is C₁₄H₁₂O₂ and molecular weight is 212.24388. Its IUPAC name is called (2-hydroxy-5-methylphenyl)-phenylmethanone. The product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of Methanone,(2-hydroxy-5-methylphenyl)phenyl-: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 3.93; (3)ACD/LogD (pH 7.4): 3.87; (4)ACD/BCF (pH 5.5): 571.09; (5)ACD/BCF (pH 7.4): 499.47; (6)ACD/KOC (pH 5.5): 3270.59; (7)ACD/KOC (pH 7.4): 2860.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.604; (12)Molar Refractivity: 62.75 cm³; (13)Molar Volume: 182.2 cm³; (14)Surface Tension: 47.9 dyne/cm; (15)Density: 1.164 g/cm³; (16)Flash Point: 144.8 °C; (17)Enthalpy of Vaporization: 60.68 kJ/mol; (18)Boiling Point: 340.2 °C at 760 mmHg; (19)Vapour Pressure: 4.44E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by benzoic acid p-tolyl ester. This reaction is a kind of Fries rearrangement. It will need reagent 1-butyl-3-methylimidazolium chloroaluminate. The reaction time is 2 hours with reaction temperature of 120 °C. The yield is about 96%.

Uses of Methanone,(2-hydroxy-5-methylphenyl)phenyl-: it can be used to produce 6-methyl-3,4-diphenyl-coumarin by heating. This reaction will need reagent Et₃N and solvent acetic anhydride with reaction time of 3 hours. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3
(3)InChIKey: OQERFUGURPLBQH-UHFFFAOYSA-N