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Hexanoic acid-[Methyl-d3]

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General Information
Catalog: BLP-009299
CAS: 55320-69-9
Molecular Formula: C6H9D3O2
Molecular Weight: 119.18

Chemical Structure

Description	Hexanoic acid-[Methyl-d3] 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	1-Hexanoic-d3 Acid; 1-Pentane-d3-carboxylic Acid; Butyl-d3-acetic Acid; Caproic-d3 Acid; Capronic-d3 Acid; Hexoic-d3 Acid; Hexylic-d3 Acid; NSC 35598-d3; NSC 8266-d3; Pentylformic-d3 Acid; Hexanoic-6,6,6-d3 Acid
IUPAC Name	6,6,6-trideuteriohexanoic acid
Related CAS	142-62-1 (unlabelled)
Canonical SMILES	CCCCCC(=O)O
InChI	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i1D3
InChI Key	FUZZWVXGSFPDMH-FIBGUPNXSA-N
Boiling Point	202-203°C (lit.)
Melting Point	-3°C (lit.)
Purity	99% by CP; 99% atom D
Density	0.951 g/cm3
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance	Colorless to Pale Yellow Oil