1,4-DIOXANE-D8

The 1, 4-Dioxane-2, 2, 3, 3, 5, 5, 6, 6-d₈, with the CAS registry number 17647-74-4, is also known as 1, 4-Dioxane-d₈. And its EINECS registry number is 241-628-7. This chemical's molecular formula is C₄D₈O₂ and molecular weight is 96.15. What's more, its IUPAC name is 2, 2, 3, 3, 5, 5, 6, 6-Octadeuterio-1, 4-dioxane. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be kept away from light, moisture, oxidant.

Physical properties about 1, 4-Dioxane-2, 2, 3, 3, 5, 5, 6, 6-d₈ are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.27; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.97; (8)ACD/KOC (pH 7.4): 16.97; (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: 1.404; (14)Molar Refractivity: 21.65 cm³; (15)Molar Volume: 88.5 cm³; (16)Polarizability: 8.58×10^-24 cm³; (17)Surface Tension: 31.2 dyne/cm; (18)Density: 1.085 g/cm³; (19)Flash Point: 12.2 °C; (20)Enthalpy of Vaporization: 34.16 kJ/mol; (21)Boiling Point: 102.9 °C at 760 mmHg; (22)Vapour Pressure: 38.2 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and respiratory system. In addition, this chemical may form explosive peroxides. And it is toxic by inhalation, in contact with skin and if swallowed. During using it, you should wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C1([2H])OC([2H])([2H])C([2H])([2H])OC1([2H])[2H]
(2) InChI: InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2
(3) InChIKey: RYHBNJHYFVUHQT-SVYQBANQEE