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22431-89-6

Basic Information
CAS No.: 22431-89-6
Name: 1,2-Dioxane, 3,3,6,6-tetramethyl-
Article Data: 4
Molecular Structure:
Molecular Structure of 22431-89-6 (1,2-Dioxane, 3,3,6,6-tetramethyl-)
Formula: C8H16O2
Molecular Weight: 144.21
Synonyms: 3,3,6,6-Tetramethyl-1,2-dioxane;
Density: 0.872 g/cm3
Boiling Point: 126.8 °C at 760 mmHg
Flash Point: 34.3 °C
PSA: 18.46000
LogP: 2.28560
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Specification

The 1,2-Dioxane,3,3,6,6-tetramethyl-, with the CAS registry number of 22431-89-6, is also known as 3,3,6,6-Tetramethyl-1,2-dioxane. This chemical's molecular formula is C8H16O2 and molecular weight is 144.21. What's more, its IUPAC name is 3,3,6,6-Tetramethyldioxane.

Physical properties about the 1,2-Dioxane,3,3,6,6-tetramethyl- are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 53.23; (6)ACD/BCF (pH 7.4): 53.23; (7)ACD/KOC (pH 5.5): 598.65; (8)ACD/KOC (pH 7.4): 598.65; (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: 1.402; (14)Molar Refractivity: 40.3 cm3; (15)Molar Volume: 165.3 cm3; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 0.872 g/cm3; (18)Flash Point: 34.3 °C; (19)Enthalpy of Vaporization: 34.95 kJ/mol; (20)Boiling Point: 126.8 °C at 760 mmHg; (21)Vapour Pressure: 13.9 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1OC(C)(CCC1(C)C)C
(2) InChI: InChI=1/C8H16O2/c1-7(2)5-6-8(3,4)10-9-7/h5-6H2,1-4H3
(3) InChIKey: KWGQMMAUPVIDIG-UHFFFAOYAE