6-METHYL-1-HEPTANOL

The 1-Heptanol, 6-methyl- is an organic compound with the formula C₈H₁₈O. The IUPAC name of this chemical is 6-Methylheptan-1-ol. With the CAS registry number 1653-40-3, it is also named as 6-Methyl-1-heptanol. Besides, its molecular weight is 130.23.

Physical properties about 1-Heptanol, 6-methyl- are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.41; (5)ACD/BCF (pH 7.4): 81.41; (6)ACD/KOC (pH 5.5): 811.45; (7)ACD/KOC (pH 7.4): 811.45; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.426; (13)Molar Refractivity: 40.6 cm³; (14)Molar Volume: 158.4 cm³; (15)Polarizability: 16.09×10^-24 cm³; (16)Surface Tension: 28 dyne/cm; (17)Density: 0.821 g/cm³; (18)Flash Point: 71.1 °C; (19)Enthalpy of Vaporization: 48.37 kJ/mol; (20)Boiling Point: 179.2 °C at 760 mmHg; (21)Vapour Pressure: 0.284 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-Methoxy-4-(6-methyl-heptyloxymethyl)-benzene. This reaction will need reagents NaBH₃CN; BF₃•OEt₂ and solvent tetrahydrofuran. The reaction time is 10 hours. The yield is about 83%.

Uses of 1-Heptanol, 6-methyl-: it can be used to produce Di-isooctylphthalat. This reaction is a kind of Esterification. It will need reagent PTSA/activated carbon with reaction time of 55 s. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
(2)InChIKey: BWDBEAQIHAEVLV-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
(4)Std. InChIKey: BWDBEAQIHAEVLV-UHFFFAOYSA-N