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Substance Name: Nonanoic acid
RN: 112-05-0
UNII: 97SEH7577T
InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N

Note

  • K salt acts as cariostatic agent.

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.2392
 

Classification Codes

  • Anti-Infective Agents
  • Antifungal Agents
  • Skin / Eye Irritant
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Names and Synonyms

Results Name

  • Nonanoic acid

Name of Substance

  • Nonanoic acid
  • Pelargonic acid

Synonyms

  • 1-Octanecarboxyic acid
  • 1-Octanecarboxylic acid
  • 4-02-00-01018 (Beilstein Handbook Reference)
  • AI3-04164
  • BRN 1752351
  • Cirrasol 185A
  • EC 203-931-2
  • EINECS 203-931-2
  • Emfac 1202
  • EPA Pesticide Chemical Code 217500
  • FEMA No. 2784
  • Hexacid C-9
  • HSDB 5554
  • n-Nonanoic acid
  • n-Nonoic acid
  • n-Nonylic acid
  • Nonanoic acid
  • Nonoic acid
  • Nonylic acid
  • NSC 62787
  • Pelargic acid
  • Pelargon
  • Pelargon [Russian]
  • Pelargonic acid
  • UNII-97SEH7577T

Systematic Name

  • Nonanoic acid

Superlist Names

  • Nonanoic acid
  • Pelargonic acid

Registry Numbers

CAS Registry Number

  • 112-05-0

FDA UNII

  • 97SEH7577T

Related Registry Numbers

  • 14047-60-0 (hydrochloride salt)
  • 23282-34-0 (potassium salt)
  • 29813-38-5 (calcium salt)
  • 5112-16-3 (cadmium salt)
  • 7640-78-0 (zinc salt)

System Generated Number

  • 0000112050

Structure Descriptors

InChI

1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

InChIKey

FBUKVWPVBMHYJY-UHFFFAOYSA-N

Smiles

C(CCCCC)CCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 224mg/kg (224mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999.
rat LD50 oral > 5gm/kg (5000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999.
rat LD50 skin > 2gm/kg (2000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 12.3 deg C   EXP
Boiling Point 254.5 deg C   EXP
pKa Dissociation Constant 4.95 (none) 25 EXP
log P (octanol-water) 3.42 (none)   EXP
Water Solubility 284 mg/L 20 EXP
Vapor Pressure 0.00165 mm Hg 25 EXP
Henry's Law Constant 1.62E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.76E-12 cm3/molecule-sec 25 EST

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