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Hexanoic acid-[d11]

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General Information
Catalog: BLP-011190
CAS: 95348-44-0
Molecular Formula: C6HD11O2
Molecular Weight: 127.23

Chemical Structure

Description	Hexanoic acid-[d11] is the labelled analogue of Hexanoic acid. Hexanoic acid has a role as a human metabolite and a plant metabolite. It can be used to synthesize fragrances, food additives and flavor enhancers.
Synonyms	Caproic acid-d11,OH; Hexanoic-d11 acid
IUPAC Name	2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoic acid
Related CAS	142-62-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
Canonical SMILES	CCCCCC(=O)O
InChI	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i1D3,2D2,3D2,4D2,5D2
InChI Key	FUZZWVXGSFPDMH-GILSBCIXSA-N
Boiling Point	202-203°C (lit.)
Melting Point	-3°C (lit.)
Purity	99% by CP; 98% atom D
Density	1.015 g/cm3 at 25°C