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Substance Name: Octanoic acid [USAN:INN]
RN: 124-07-2
UNII: OBL58JN025
InChIKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N

Classification Codes

  • Antifungal
  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C8-H16-O2

Molecular Weight

  • 144.2124
 

Names and Synonyms

Name of Substance

  • Caprylic acid
  • n-Octanoic acid
  • Octanoic acid
  • Octanoic acid [USAN:INN]
  • Octoic acid

Synonyms

  • 1-Heptanecarboxylic acid
  • 4-02-00-00982 (Beilstein Handbook Reference)
  • Acide octanoique
  • Acide octanoique [French]
  • Acido octanoico
  • Acido octanoico [Spanish]
  • Acidum octanocium
  • Acidum octanocium [Latin]
  • AI3-04162
  • BRN 1747180
  • C-8 acid
  • Caprylic acid
  • Caprylic acid (natural)
  • Caprylsaeure
  • CCRIS 4689
  • EC 204-677-5
  • EINECS 204-677-5
  • Enantic acid
  • FEMA No. 2799
  • Hexacid 898
  • HSDB 821
  • Kyselina kaprylova
  • Kyselina kaprylova [Czech]
  • n-Caprylic acid
  • n-Octanoic acid
  • n-Octoic acid
  • n-Octylic acid
  • neo-Fat 8
  • NSC 5024
  • Octanoic acid
  • Octic acid
  • Octoic acid
  • Octylic acid
  • UNII-OBL58JN025

Systematic Name

  • Octanoic acid

Superlist Names

  • Caprylic acid
  • Octanoic acid

Registry Numbers

CAS Registry Number

  • 124-07-2

FDA UNII

  • OBL58JN025

Related Registry Numbers

  • 15696-43-2 (unspecified lead salt)
  • 16577-52-9 (lithium salt)
  • 18312-04-4 (unspecified zirconium salt)
  • 1912-83-0 (tin(+2) salt)
  • 1984-06-1 (hydrochloride salt)
  • 20195-23-7 (unspecified chromium salt)
  • 20543-04-8 (unspecified copper salt)
  • 2191-10-8 (cadmium salt)
  • 3130-28-7 (iron(+3) salt)
  • 3890-89-9 (copper(+2) salt)
  • 4696-54-2 (barium salt)
  • 4995-91-9 (nickel(+2) salt)
  • 5206-47-3 (zirconium(+4) salt)
  • 557-09-5 (zinc salt)
  • 5972-76-9 (ammonium salt)
  • 6028-57-5 (aluminum salt)
  • 60903-69-7 (La(+3) salt)
  • 6107-56-8 (calcium salt)
  • 6427-90-3 (chromium(+2) salt)
  • 6535-19-9 (unspecified manganese salt)
  • 6535-20-2 (unspecified iron salt)
  • 6700-85-2 (cobalt salt)
  • 67816-08-4 (Ir(+3) salt)
  • 68957-64-2 (Ru(+3) salt)
  • 7319-86-0 (lead(+2) salt)
  • 7435-02-1 (unspecified Ce salt)
  • 764-71-6 (potassium salt)

System Generated Number

  • 0000124072

Structure Descriptors

InChI

1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

InChIKey

WWZKQHOCKIZLMA-UHFFFAOYSA-N

Smiles

C(CCCCC)CC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 600mg/kg (600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 19, Pg. 237, 1981.
rat LD50 oral 10080mg/kg (10080mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 16.3 deg C   EXP
Boiling Point 239 deg C   EXP
pKa Dissociation Constant 4.89 (none) 25 EXP
log P (octanol-water) 3.05 (none)   EXP
Water Solubility 789 mg/L 30 EXP
Vapor Pressure 0.00371 mm Hg 25 EXP
Henry's Law Constant 8.92E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.35E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.