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Octanoic acid-1,2-[13C2]

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General Information
Catalog: BLP-001109
CAS: 202114-57-6
Molecular Formula: C6[13C]2H16O2
Molecular Weight: 146.20

Chemical Structure

Description	Octanoic acid-1,2-[13C2] is an isotope form of Octanoic acid. Caprylic acid, also called octanoic acid, is a saturated fatty acid, which is found in the milk of various mammals and is a minor component of coconut oil and palm kernel oil. It can be used in organic synthesis, perfume manufacturing, medicine, lubricating grease, rubber, and dye.
Synonyms	Caprylic Acid-1,2-13C2
IUPAC Name	(1,2-13C2)octanoic acid
Related CAS	124-07-2 (unlabelled)
Isomeric SMILES	CCCCCC[13CH2][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)/i7+1,8+1
InChI Key	WWZKQHOCKIZLMA-BFGUONQLSA-N
Boiling Point	237 °C (lit.)
Melting Point	16 °C (lit.)
Purity	99% by CP; 99% atom 13C
Density	0.922 g/mL at 25 °C