2,2-DIMETHYL-1,3-DIOXAN-5-ONE

The CAS register number of 2,2-Dimethyl-1,3-dioxan-5-one is 74181-34-3. It also can be called as 1,3-Dioxan-5-one,2,2-dimethyl- and the systematic name about this chemical is 2,2-dimethyl-1,3-dioxan-5-one. The molecular formula about this chemical is C₆H₁₀O₃ and molecular weight is 130.14. It belongs to the following product categories, such as Dioxanes; Dioxanes & Dioxolanes and so on.

Physical properties about 2,2-Dimethyl-1,3-dioxan-5-one are: (1)ACD/LogP: -0.08; (2)ACD/LogD (pH 5.5): -0.08; (3)ACD/LogD (pH 7.4): -0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 21.48; (7)ACD/KOC (pH 7.4): 21.48; (8)#H bond acceptors: 3; (9)Polar Surface Area: 35.53Ų; (10)Index of Refraction: 1.417; (11)Molar Refractivity: 31.1 cm³; (12)Molar Volume: 123.4 cm³; (13)Polarizability: 12.33x10^-24cm³; (14)Surface Tension: 27.5 dyne/cm; (15)Enthalpy of Vaporization: 42.23 kJ/mol; (16)Boiling Point: 186.1 °C at 760 mmHg; (17)Vapour Pressure: 0.675 mmHg at 25°C.

Preparation: this chemical can be prepared by (5-amino-2,2-dimethyl-[1,3]dioxan-5-yl)-methanol. This reaction will need reagent NaIO₄ and solvent aq. phosphate buffer. The yield is about 92 %.

Uses of 2,2-Dimethyl-1,3-dioxan-5-one: it can be used to produce 2,2-dimethyl-[1,3]dioxan-5-ol. This reaction will need reagent lithium aluminum hydride. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1COC(OC1)(C)C
(2)InChI: InChI=1/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3
(3)InChIKey: ASFQDNDZFGFMMP-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3
(5)Std. InChIKey: ASFQDNDZFGFMMP-UHFFFAOYSA-N