2-OCTANOYLTHIOPHENE

The 1-Octanone,1-(2-thienyl)- is an organic compound with the formula C₁₂H₁₈OS. The IUPAC name of this chemical is 1-thiophen-2-yloctan-1-one. With the CAS registry number 30711-41-2, it is also named as 1-(2-thienyl)octan-1-one. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1-Octanone,1-(2-thienyl)- are: (1)ACD/LogP: 4.44; (2)ACD/LogD (pH 5.5): 4.44; (3)ACD/LogD (pH 7.4): 4.44; (4)ACD/BCF (pH 5.5): 1397.02; (5)ACD/BCF (pH 7.4): 1397.02; (6)ACD/KOC (pH 5.5): 6207.75; (7)ACD/KOC (pH 7.4): 6207.75; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 45.31 Å²; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 62.46 cm³; (13)Molar Volume: 209.4 cm³; (14)Polarizability: 24.76×10^-24cm³; (15)Surface Tension: 36.3 dyne/cm; (16)Density: 1.004 g/cm³; (17)Flash Point: 142.5 °C; (18)Enthalpy of Vaporization: 55.3 kJ/mol; (19)Boiling Point: 312 °C at 760 mmHg; (20)Vapour Pressure: 0.000543 mmHg at 25°C.

Preparation: this chemical can be prepared by thiophene and octanoyl chloride. This reaction will need reagent aluminium chloride, carbon disulfide.

Uses of 1-Octanone,1-(2-thienyl)-: it can be used to produce 2-octyl-thiophene. It will need reagent hydrazine.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sccc1)CCCCCCC
(2)InChI: InChI=1/C12H18OS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
(3)InChIKey: QRJZCQOLJVIBDE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H18OS/c1-2-3-4-5-6-8-11(13)12-9-7-10-14-12/h7,9-10H,2-6,8H2,1H3
(5)Std. InChIKey: QRJZCQOLJVIBDE-UHFFFAOYSA-N