N-UNDECANOPHENONE

The 1-Undecanone, 1-phenyl-, with the CAS registry number of 4433-30-1, is also known as 1-Phenyl-1-undecanone. Its EINECS registry number is 224-633-9. This chemical's molecular formula is C₁₇H₂₆O and molecular weight is 246.39. What's more, its IUPAC name is 1-Phenylundecan-1-one. In addition, it must be stored in airtight containers and placed in a dry, ventilated place. Meanwhile, it should be avoided contact with light. During using it, you should avoid contacting with skin and eyes.

Physical properties about 1-Undecanone, 1-phenyl- are: (1)ACD/LogP: 6.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.45; (4)ACD/LogD (pH 7.4): 6.45; (5)ACD/BCF (pH 5.5): 46750.68; (6)ACD/BCF (pH 7.4): 46750.68; (7)ACD/KOC (pH 5.5): 76597.8; (8)ACD/KOC (pH 7.4): 76597.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 77.97 cm³; (15)Molar Volume: 269.5 cm³; (16)Surface Tension: 33.9 dyne/cm; (17)Density: 0.914 g/cm³; (18)Flash Point: 132.3 °C; (19)Enthalpy of Vaporization: 58.77 kJ/mol; (20)Boiling Point: 343.8 °C at 760 mmHg; (21)Vapour Pressure: 6.86E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Benzene with Undecanoyl chloride at heating. This reaction needs catalyst AlCl₃. The reaction time is 2 hours. The yield is about 89 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Phenyl-undecane. This reaction needs reagents Hydrazine hydrate and KOH. Meanwhile, it needs solvent Bis-(2-hydroxy-ethyl) ether. The reaction time is 2 hours with reaction temperature of 130 °C. The yield is about 60 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)CCCCCCCCCC
(2) InChI: InChI=1/C17H26O/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
(3) InChIKey: LHJBFOGCFZHBAJ-UHFFFAOYAH