2-Heptadecanone (2922-51-2)

The cas register number of 2-Heptadecanone is 2922-51-2. It also can be called as ketone, methyl pentadecanyl and the Systematic name about this chemical is heptadecan-2-one.

Physical properties about 2-Heptadecanone are: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/LogD (pH 7.4): 7.28; (5)ACD/BCF (pH 5.5): 201374.59; (6)ACD/BCF (pH 7.4): 201374.59; (7)ACD/KOC (pH 5.5): 217862.48; (8)ACD/KOC (pH 7.4): 217862.48; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 17.07Ų; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 80.83 cm³; (15)Molar Volume: 306.2 cm³; (16)Surface Tension: 29.4 dyne/cm; (17)Density: 0.83 g/cm³; (18)Flash Point: 80.6 °C; (19)Enthalpy of Vaporization: 53.91 kJ/mol; (20)Boiling Point: 319.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000617 mmHg at 25°C.

Uses of 2-Heptadecanone: It reacts with (4,5-dimethyl-[1,3]dithiol-2-yl)-phosphonic acid diethyl ester to get 4,5-dimethyl-2-(1-methyl-hexadecylidene)-[1,3]dithiole. This reaction needs solvent toluene. The reaction time is 0.5 hour. The yield is 77.5 %.

People can use the following data to convert to the molecule structure.
1.SMILES: CC(=O)CCCCCCCCCCCCCCC
2.InChI: InChI=1/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3
3.InChIKey: TVTCXPXLRKTHAU-UHFFFAOYAB
4.Std. InChI: InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3