ETHYL ISOBUTYL KETONE

The CAS register number of 3-Hexanone, 5-methyl- is 623-56-3. It also can be called as 2-Methyl-4-hexanone and the IUPAC name about this chemical is 5-methylhexan-3-one. The molecular formula about this chemical is C₇H₁₄O and the molecular weight is 114.19. This chemical is flammable. If you want to store it, you should keep it away from sources of ignition, avoid contact with oxide and under normal temperature.

Physical properties about 3-Hexanone, 5-methyl- are: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): 1.78; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 13.36; (5)ACD/BCF (pH 7.4): 13.36; (6)ACD/KOC (pH 5.5): 222.62; (7)ACD/KOC (pH 7.4): 222.62; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.401; (12)Molar Refractivity: 34.46 cm³; (13)Molar Volume: 141.5 cm³; (14)Polarizability: 13.66x10^-24cm³; (15)Surface Tension: 23.9 dyne/cm; (16)Density: 0.806 g/cm³; (17)Flash Point: 31 °C; (18)Enthalpy of Vaporization: 37.61 kJ/mol; (19)Boiling Point: 138.8 °C at 760 mmHg; (20)Vapour Pressure: 6.62 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-methyl-4-phenylthiohex-3-ene. This reaction will need reagent of CF₃CO₂H and solvent of H₂O. The yield is about 48%.

Uses of 3-Hexanone, 5-methyl-: it can be used to produce 5-methyl-hexan-3-one oxime. This reaction will need reagents of hydroxylamine hydrochloride, NaOH, perfluoroenanthic acid  and solvent of H₂O. The PH value of this reaction is 7 - 8. The reaction time is 3 hours with reaction temperature of 67 - 68 °C. The yield is about 71%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC)CC(C)C
(2)InChI: InChI=1/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
(3)InChIKey: DXVYLFHTJZWTRF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3
(5)Std. InChIKey: DXVYLFHTJZWTRF-UHFFFAOYSA-N