2-methyl-1,3-dioxane

The 1,3-Dioxane, 2-methyl-, with the CAS registry number 626-68-6, is also known as 2-Methyl-1,3-dioxacyclohexane. This chemical's molecular formula is C₅H₁₀O₂ and molecular weight is 102.13. What's more, its IUPAC name is 2-methyl-1,3-dioxane. 

Physical properties of 1,3-Dioxane, 2-methyl- are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.32; (8)ACD/KOC (pH 7.4): 25.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.4; (14)Molar Refractivity: 26.36 cm³; (15)Molar Volume: 108.5 cm³; (16)Polarizability: 10.45×10^-24cm³; (17)Surface Tension: 27.5 dyne/cm; (18)Density: 0.941 g/cm³; (19)Flash Point: 19.5 °C; (20)Enthalpy of Vaporization: 33.26 kJ/mol; (21)Boiling Point: 108.1 °C at 760 mmHg; (22)Vapour Pressure: 30.7 mmHg at 25°C.

Preparation of 1,3-Dioxane, 2-methyl: this chemical can be prepared by 3-(1'-Methoxyethoxy)-1-propanol. This reaction will also need catalyst TsOH. The yield is about 100%.

Uses of 1,3-Dioxane, 2-methyl-: it can be used to produce 2-bromomethyl-[1,3]dioxane at the temperature of 20 °C. It will need reagent bromine and solvent benzene with the reaction time of 10 min. This reaction will also need catalyst di-tert-butyldicyclohexano-18-crown-18. It's a reaction of bromination. The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1OCCCO1
(2)InChI: InChI=1S/C5H10O2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
(3)InChIKey: HDGHQFQMWUTHKL-UHFFFAOYSA-N