3-HYDROXY-3-METHYL-2-BUTANONE

The 2-Butanone,3-hydroxy-3-methyl- is an organic compound with the formula C₅H₁₀O₂. The IUPAC name of this chemical is 3-hydroxy-3-methylbutan-2-one. With the CAS registry number 115-22-0, it is also named as 1-Hydroxy-1-methylethyl methyl ketone. The product's categories are C3 to C6; Carbonyl Compounds; Ketones. Besides, it is clear colourless to light yellow liquid, which should be stored in a cool and well-ventilated place.

Physical properties about 2-Butanone,3-hydroxy-3-methyl- are: (1)ACD/LogP: -0.08; (2)ACD/LogD (pH 5.5): -0.08; (3)ACD/LogD (pH 7.4): -0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.47; (7)ACD/KOC (pH 7.4): 21.47; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.419; (13)Molar Refractivity: 26.74 cm³; (14)Molar Volume: 105.7 cm³; (15)Polarizability: 10.6×10^-24cm³; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.965 g/cm³; (18)Flash Point: 42.2 °C; (19)Enthalpy of Vaporization: 44.53 kJ/mol; (20)Boiling Point: 145.2 °C at 760 mmHg; (21)Vapour Pressure: 1.94 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-but-3-yn-2-ol. This reaction will need reagent [(Ph₃P)AuCH₃], sulfuric acid and solvent H₂O, methanol. The reaction time is 120 min with reaction temperature of 70 °C. The yield is about 44%.

Uses of 2-Butanone,3-hydroxy-3-methyl-: it can be used to produce 2,5-dihydroxy-2-methyl-heptan-3-one. This reaction is a kind of aldol reaction. It will need reagent n-BuLi, diisopropylamine and solvent tetrahydrofuran, hexane. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. When you are using it, Do not breathe dust, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C(O)(C)C
(2)InChI: InChI=1/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
(3)InChIKey: BNDRWEVUODOUDW-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
(5)Std. InChIKey: BNDRWEVUODOUDW-UHFFFAOYSA-N