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Octanoic Acid-[1-13C]

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General Information
Catalog: BLP-008557
CAS: 59669-16-8
Molecular Formula: C7[13C]H16O2
Molecular Weight: 145.20

Chemical Structure

Description	Octanoic Acid-[1-13C] is an isotopic analog of Octanoic Acid, which is found naturally in the milk of various mammals. Its esters can be used in perfumery and also in the manufacture of dyes. It is also an antimicrobial pesticide used as a food contact surface sanitizer.
Synonyms	1-Heptanecarboxylic Acid-13C; Caprylic acid-13C; Octylic Acid-13C; n-Caprylic Acid-13C; n-Octanoic Acid-13C; n-Octylic Acid-13C
IUPAC Name	(1-13C)octanoic acid
Related CAS	124-07-2 (unlabelled)
Isomeric SMILES	CCCCCCC[13C](=O)O
Canonical SMILES	CCCCCCCC(=O)O
InChI	InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i8+1
InChI Key	WWZKQHOCKIZLMA-VJJZLTLGSA-N
Boiling Point	237°C (lit.)
Melting Point	16°C (lit.)
Purity	98% by CP; 98% atom 13C
Density	0.910 g/mL at 25°C
Solubility	Slightly soluble in Methanol, Chloroform
Storage	Store at -20°C