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Hexylene Glycol-[d12]

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General Information
Catalog: BLP-010912
CAS: 284474-72-2
Molecular Formula: C6H2D12O2
Molecular Weight: 130.25

Chemical Structure

Description	Hexylene Glycol-[d12] is the labelled analogue of Hexylene Glycol.
Synonyms	2-Methyl-2,4-pentane-d12-diol
IUPAC Name	1,1,1,2,3,3,5,5,5-nonadeuterio-4-(trideuteriomethyl)pentane-2,4-diol
Related CAS	107-41-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O)O
Canonical SMILES	CC(CC(C)(C)O)O
InChI	InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/i1D3,2D3,3D3,4D2,5D
InChI Key	SVTBMSDMJJWYQN-WWKUACGSSA-N
Boiling Point	197°C (lit.)
Purity	99% by CP; 98% atom D
Density	1.014 g/cm3 at 25°C
Storage	Store at -20°C