5-Ethyl-1,3-dioxane-5-methanol

This chemical is called 5-Ethyl-1,3-dioxane-5-methanol, and its IUPAC name is (5-ethyl-1,3-dioxan-5-yl)methanol. With the molecular formula of C₇H₁₄O₃, its molecular weight is 146.18. The CAS registry number of this chemical is 5187-23-5, and its product categories are Alcohols; C7 to C8; Oxygen Compounds. In addition, this chemical should be stored sealed in the cool and dry plcace.

Other characteristics of the 5-Ethyl-1,3-dioxane-5-methanol can be summarised as followings: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.6; (8)ACD/KOC (pH 7.4): 16.6; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 37.11 cm³; (15)Molar Volume: 143.1 cm³; (16)Polarizability: 14.71×10^-24cm³; (17)Surface Tension: 39.5 dyne/cm; (18)Flash Point: 101.7 °C; (19)Enthalpy of Vaporization: 52.78 kJ/mol; (20)Boiling Point: 217.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0284 mmHg at 25°C.

Production method of this chemical: The 5-Ethyl-1,3-dioxane-5-methanol could be obtained the reactants of dimethoxymethane and 2-ethyl-2-hydroxymethyl-propane-1,3-diol , the reagents of LiBr, TsOH, and the solvent of CH₂Cl₂. The yield is 88 %. In addition, this reaction should be taken for 25 minutes at the temperature of 20 °C. 

Uses of this chemical: The 5-Ethyl-1,3-dioxane-5-methanol could react with acetyl chloride, and obtain the acetic acid 5-ethyl-[1,3]dioxan-5-ylmethyl ester. This reaction needs the reagent of triethylamine, and the solvent of CHCl₃. The yield is 90 %.

You can still convert the following datas into molecular structure: 
1.SMILES: OCC1(CC)COCOC1
2.InChI: InChI=1/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3
3.InChIKey: BGFBWRWYROQISE-UHFFFAOYAM

The toxicity data is as follows: