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Hexadecanoic-[d31] acid

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General Information
Catalog: BLP-009386
CAS: 39756-30-4
Molecular Formula: C16HD31O2
Molecular Weight: 287.61

Chemical Structure

Description	Hexadecanoic-[d31] acid is an isotope analogue of Palmitic acid. Palmitic acid is a saturated long-chain fatty acid, which is found in fats, milk and meat, and is a major component of palm oil and palm kernel oil. Palmitic acid can be used in soaps and cosmetic manufacturing.
Synonyms	Palmitic Acid-d31; Hexadecanoic Acid-2H31
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid
Related CAS	57-10-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)O
InChI	InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChI Key	IPCSVZSSVZVIGE-SAQPIRCFSA-N
Melting Point	61-64°C (lit.)
Purity	99% by CP; 98% atom D
Density	0.954
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	White to Off-white Solid
Storage	Store at RT