2,6-Dimethyl-1,4-dioxane (>85%) - CAS 10138-17-7

Catalog:	BB066829
Product Name:	2,6-Dimethyl-1,4-dioxane (>85%)
CAS:	10138-17-7
Synonyms:	2,6-Dimethyl-1,4-dioxane; 1,4-DIOXANE, 2,6-DIMETHYL-; p-Dioxane, 2,6-dimethyl-; 5-19-01-00080 (Beilstein Handbook Reference)

Technical Data

IUPAC Name:	2,6-dimethyl-1,4-dioxane
Description:	2,6-Dimethyl-1,4-dioxane can be found as a product of the thermal degradation of alliin (a major flavor precursor of garlic) and deoxyalliin in an aqueous solution.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	CC1COCC(O1)C
InChI:	InChI=1S/C6H12O2/c1-5-3-7-4-6(2)8-5/h5-6H,3-4H2,1-2H3
InChI Key:	JZUPYBRYQINNRE-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Colourless Oil
Storage:	4°C, Inert atmosphere
References:	Yu, T., et al. J. Agr. Food Chem., 42, 146 (1994).

Complexity:	64.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.083729621
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	0
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6