2-Dodecanone (6175-49-1)

The 2-Dodecanone is an organic compound with the formula C₁₂H₂₄O. The IUPAC name of this chemical is dodecan-2-one. With the CAS registry number 6175-49-1, it is also named as Methyl decyl ketone. The product's categories are Methyl decyl ketone. Besides, it is a clear colorless to light yellow liquid, which should be stored in a cool and dry place. When you are using it, avoid contact with skin and eyes.

Physical properties about 2-Dodecanone are: (1)ACD/LogP: 4.63; (2)ACD/LogD (pH 5.5): 4.62; (3)ACD/LogD (pH 7.4): 4.62; (4)ACD/BCF (pH 5.5): 1926.97; (5)ACD/BCF (pH 7.4): 1926.97; (6)ACD/KOC (pH 5.5): 7814.66; (7)ACD/KOC (pH 7.4): 7814.66; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.428; (12)Molar Refractivity: 57.67 cm³; (13)Molar Volume: 223.7 cm³; (14)Polarizability: 22.86×10^-24cm³; (15)Surface Tension: 27.9 dyne/cm; (16)Density: 0.823 g/cm³; (17)Flash Point: 81.2 °C; (18)Enthalpy of Vaporization: 46.53 kJ/mol; (19)Boiling Point: 247.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0396 mmHg at 25°C.

Preparation: this chemical can be prepared by dodec-1-ene. This reaction will need reagent Et₃SiOOH, catalyst Co(modp)₂ and solvent 1,2-dichloro-ethane. The reaction time is 16 hours with reaction temperature of 20 °C. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCCCCCCCCC)C
(2)InChI: InChI=1/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
(3)InChIKey: LSKONYYRONEBKA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
(5)Std. InChIKey: LSKONYYRONEBKA-UHFFFAOYSA-N