6-METHYL-2-HEPTANONE

The 2-Heptanone, 6-methyl-, with the CAS registry number 928-68-7, is also known as 2-Methyl-6-heptanone. Its EINECS number is 213-179-7. This chemical's molecular formula is C₈H₁₆O and molecular weight is 128.21. What's more, its IUPAC name is 6-Methylheptan-2-one.

Physical properties of 2-Heptanone, 6-methyl- are: (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): 33.87; (6)ACD/BCF (pH 7.4): 33.87; (7)ACD/KOC (pH 5.5): 433.13; (8)ACD/KOC (pH 7.4): 433.13; (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: 1.409; (14)Molar Refractivity: 39.1 cm³; (15)Molar Volume: 158 cm³; (16)Polarizability: 15.5×10^-24 cm³; (17)Surface Tension: 24.8 dyne/cm; (18)Density: 0.811 g/cm³; (19)Flash Point: 44.6 °C; (20)Enthalpy of Vaporization: 40.35 kJ/mol; (21)Boiling Point: 167 °C at 760 mmHg; (22)Vapour Pressure: 1.74 mmHg at 25 °C.

Preparation: this chemical can be prepared by 6-methyl-hept-5-en-2-one. This reaction will need reagent H₂. This reaction will also need catalyst Pd-C.

Uses of 2-Heptanone, 6-methyl-: it can be used to produce 2,6,10-trimethyl-1-undecen-3-yn-6-ol at the temperature of 50-55 °C. It will need solvents benzene and tetrahydrofuran. This reaction will need reagent zinc powder. The yield is about 62.4%.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCC(=O)C
(2)InChI: InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h7H,4-6H2,1-3H3
(3)InChIKey: DPLGXGDPPMLJHN-UHFFFAOYSA-N