HEPTANAL DIMETHYL ACETAL

The Heptane, 1,1-dimethoxy- is an organic compound with the formula C₉H₂₀O₂. The IUPAC name of this chemical is 1,1-dimethoxyheptane. With the CAS registry number 10032-05-0, it is also named as Enanthal dimethyl acetal.

Physical properties about Heptane, 1,1-dimethoxy- are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2.74; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 71.05; (5)ACD/BCF (pH 7.4): 71.05; (6)ACD/KOC (pH 5.5): 736.15; (7)ACD/KOC (pH 7.4): 736.15; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.41; (12)Molar Refractivity: 47.19 cm³; (13)Molar Volume: 190.1 cm³; (14)Polarizability: 18.7×10^-24cm³; (15)Surface Tension: 25.3 dyne/cm; (16)Density: 0.842 g/cm³; (17)Flash Point: 40.2 °C; (18)Enthalpy of Vaporization: 39.53 kJ/mol; (19)Boiling Point: 175.9 °C at 760 mmHg; (20)Vapour Pressure: 1.51 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and heptanal. This reaction will need reagent hydrochloric acid.

Uses of Heptane, 1,1-dimethoxy-: it can be used to produce 1-(1-ethoxyhexyl)benzimidazole by heating. It will need reagent pyridinium p-toluenesulfonate (PPTS) and solvent dioxane with reaction time of 5 hours. The yield is about 70.4%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(OC)CCCCCC
(2)InChI: InChI=1/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3
(3)InChIKey: BBMCNYFBAIUERL-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3
(5)Std. InChIKey: BBMCNYFBAIUERL-UHFFFAOYSA-N