1,2-Dioxane,3,3,6,6-tetramethyl- supplier

Name
1,2-Dioxane, 3,3,6,6-tetramethyl-
EINECS
CAS No. 22431-89-6
Article Data4
CAS DataBase
Density 0.872 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O₂
Boiling Point 126.8 °C at 760 mmHg
Molecular Weight 144.21
Flash Point 34.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3,6,6-Tetramethyl-1,2-dioxane;
PSA 18.46000
LogP 2.28560

1,2-Dioxane,3,3,6,6-tetramethyl- 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

Product Name

1,2-Dioxane, 3,3,6,6-tetramethyl-

1,2-Dioxane,3,3,6,6-tetramethyl- Specification

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