MW: 256.43
CAS: 57-10-3
TNP NUMBER: TNP00434
MDL NUMBER: MFCD00002747
IUPAC: hexadecanoic acid
Smiles: CCCCCCCCCCCCCCCC(O)=O
Occurs as glyceryl ester in many oils and fats. Obtained from Plam oil.
REFERENCE: Merck 13, 7064 Bradley RL, et al. Dietary Fatty Acids Differentially Regulate Production of TNF-alpha and IL-10 by Murine 3T3-L1 Adipocytes. Obesity (Silver Spring). 2008 Feb 28
SOURCE: Occurs as the glyceryl ester in many oils and fats. Obtained from palm oil, Japan wax, or Chinese vegetable tallow
ACCEPTORS: 2
DONORS: 1
ROTATION BONDS: 15
N+O: 2
Chiral Centers: 0
LogP: 6.77
LogS: -5.2
LIPINSKI: 3
Monograph Number: 0007064
Title: Palmitic Acid
CAS Registry Number: 57-10-3
CAS Name: Hexadecanoic acid
Additional Names: hexadecylic acid; cetylic acid
Molecular Formula: C16H32O2
Molecular Weight: 256.42.
Percent Composition: C 74.94%, H 12.58%, O 12.48%
Line Formula: CH3(CH2)14COOH
Literature References: Occurs as the glyceryl ester in many oils and fats. Obtained from palm oil, Japan wax, or Chinese vegetable tallow. Purification: Magne et al., US 2791596 (1957 to Secretary of Agriculture). Toxicity study: L. Oro, A. Wretlind, Acta Pharmacol. Toxicol. 18, 141 (1961).
Properties: White, crystalline scales. d462 0.853. mp 63-64. bp15 215. nD80 1.4273. Insol in water. Sparingly sol in cold alcohol or in petr ether; freely sol in hot alcohol, in ether, propyl alcohol, chloroform. LD50 i.v. in mice: 57
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