octanoic acid

Synonyms: "octanoic acid", "caprylic acid", "n-octanoic acid", "n-caprylic acid", "octylic acid", "octoic acid", "n-octylic acid", "n-octoic acid", "neo-fat 8", "1-heptanecarboxylic acid", "enantic acid", "octic acid", "C-8 acid", "caprylsaeure", "capryloate", "kaprylsaeure", "Hexacid 898", "Octanoic acid".

Source: Caprylic acid (octanoid acid) is naturally found in palm kernel oil, coconut oil and milk of ruminants and human. It is used as an algaecide, bactericide and fungicide in nurseries, greenhouses and gardens centers. It is also utilized in the production of esters used in perfumery and in the manufacture of dyes. It

Identifiers:

IUPAC Name: octanoic acid
CAS Number: 124-07-2
PubChem ID: 379
InChiKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCC(=O)O

Structural Properties:

Molecular Formula: C₈H₁₆O₂
Molecular Weight: 144.214

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 10

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Gravena, C., Mathias, P.C. and Ashcroft, S.J., 2002. Acute effects of fatty acids on insulin secretion from rat and human islets of Langerhans. Journal of Endocrinology, 173(1), pp.73-80. DOI: doi: 10.1677/joe.0.1730073. URL: http://joe.endocrinology-journals.org/content/173/1/73.abstract.
Zhou, Y.P. and Grill, V.E., 1994. Long-term exposure of rat pancreatic islets to fatty acids inhibits glucose-induced insulin secretion and biosynthesis through a glucose fatty acid cycle. Journal of Clinical Investigation, 93(2), p.870. DOI: 10.1172/JCI117042. URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC293952/.