2-Methylhexanal

This chemical is called Hexanal, 2-methyl-, and its systematic name is 2-Methylhexanal. With the molecular formula of C₇H₁₄O, its molecular weight is 114.19. The CAS registry number of the chemical is 925-54-2. 

Other characteristics of Hexanal, 2-methyl- can be summarised as followings: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.92; (6)ACD/BCF (pH 7.4): 33.92; (7)ACD/KOC (pH 5.5): 433.58; (8)ACD/KOC (pH 7.4): 433.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 34.62 cm³; (15)Molar Volume: 141.7 cm³; (16)Polarizability: 13.72×10^-24cm³; (17)Surface Tension: 24.9 dyne/cm; (18)Density: 0.805 g/cm³; (19)Flash Point: 32.6 °C; (20)Enthalpy of Vaporization: 37.84 kJ/mol; (21)Boiling Point: 141.2 °C at 760 mmHg; (22)Vapour Pressure: 5.92 mmHg at 25°C.

Production method of this chemical: The Hexanal, 2-methyl- could be obtained by the reactants of Hex-1-ene  and Carbon monoxide. This reaction needs the reagents of H₂, acacRh(CO)₂ on Polyorganosiloxane, and the solvent of Xylene. In addition, this reaction should be taken at the temperature of 120 °C, under the reaction pressure 45600 Pa.



Uses of this chemical: The Hexanal, 2-methyl- could react with 1-Bromo-octane, and obtain the 5-Methyl-6-tetradecanol. This reaction needs the reagent of Metallic magnesium, and the solvent of Diethyl ether. The yield is 34 %. In addition, this reaction should be taken for 1 hour at heated condition.



You can still convert the following datas into molecular structure:
1.SMILES: O=CC(C)CCCC
2.InChI: InChI=1/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3
3.InChIKey: BHVGMUDWABJNRC-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3
5.Std. InChIKey: BHVGMUDWABJNRC-UHFFFAOYSA-N