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Hexanoic acid-[1-13C]

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General Information
Catalog: BLP-011189
CAS: 58454-07-2
Molecular Formula: C5[13C]H12O2
Molecular Weight: 117.15

Chemical Structure

Description	Hexanoic acid-[1-13C] 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-1-13C; Hexanoic acid-1-13C
IUPAC Name	(1-13C)hexanoic acid
Related CAS	142-62-1 (unlabelled)
Isomeric SMILES	CCCCC[13C](=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)/i6+1
InChI Key	FUZZWVXGSFPDMH-PTQBSOBMSA-N
Boiling Point	202-203°C (lit.)
Melting Point	−3°C (lit.)
Purity	99% by CP; 99% atom 13C
Density	0.935 g/cm3 at 25°C