7-Tetradecanol

The 7-Tetradecanol, with the CAS registry number of 3981-79-1, is also known as 1-Hexyl-1-octanol. This chemical's molecular formula is C₁₄H₃₀O and molecular weight is 214.39. What's more, its systematic name is Tetradecan-7-ol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the 7-Tetradecanol are: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 21558.2; (6)ACD/BCF (pH 7.4): 21558.2; (7)ACD/KOC (pH 5.5): 44013.48; (8)ACD/KOC (pH 7.4): 44013.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 68.4 cm³; (15)Molar Volume: 257.5 cm³; (16)Surface Tension: 30.1 dyne/cm; (17)Density: 0.832 g/cm³; (18)Flash Point: 109.9 °C; (19)Enthalpy of Vaporization: 59.69 kJ/mol; (20)Boiling Point: 275.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000628 mmHg at 25 °C.

Preparation: this chemical is prepared by Tetradec-7-ene. The reaction needs reagents Methyltricaprylammonium chloride, 1-Bromobutane, NaOH. The reaction time is 16 h with reaction temperature of 40 °C. The yield is about 88 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 8-Amino-octanoic acid 1-hexyl-octyl ester. This reaction needs reagent SOCl₂. Meanwhile, it needs solvent CHCl₃. The reaction time is 0.5 h with reaction temperature of 30 - 35 °C. The yield is about 62 %.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(CCCCCCC)CCCCCC
(2) InChI: InChI=1/C14H30O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
(3) InChIKey: FFAQYGTZIMVBFJ-UHFFFAOYAD