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Substance Name: Pentanoic acid
RN: 109-52-4
UNII: GZK92PJM7B
InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
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Names and Synonyms

Name of Substance

  • n-Pentanoic acid
  • Pentanoic acid
  • Valeric acid, normal

Synonyms

  • 1-Butanecarboxylic acid
  • 4-02-00-00868 (Beilstein Handbook Reference)
  • AI3-08657
  • BRN 0969454
  • Butanecarboxylic acid
  • EC 203-677-2
  • EINECS 203-677-2
  • FEMA No. 3101
  • HSDB 5390
  • Kyselina valerova
  • Kyselina valerova [Czech]
  • n-Pentanoic acid
  • n-Valeric acid
  • NSC 406833
  • Pentanoic acid
  • Propylacetic acid
  • UNII-GZK92PJM7B
  • Valerianic acid
  • Valeric acid
  • VALERIC ACID, N-

Systematic Names

  • Pentanoic acid
  • Valeric acid

Superlist Names

  • n-Valeric acid
  • Pentanoic acid
  • Valeric acid

Registry Numbers

CAS Registry Number

  • 109-52-4

FDA UNII

  • GZK92PJM7B

Other Registry Numbers

  • 12124-87-7
  • 2243145-76-6
  • 2486087-46-9

Related Registry Numbers

  • 19455-21-1 (potassium salt)
  • 42739-38-8 (ammonium salt)
  • 556-38-7 (zinc salt)
  • 6106-41-8 (hydrochloride salt)
  • 70268-41-6 (manganese(+2) salt)

System Generated Number

  • 0000109524

Structure Descriptors

InChI

InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey

NQPDZGIKBAWPEJ-UHFFFAOYSA-N

Smiles

CCCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 4100mg/m3/2H (4100mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 119, 1982.
mouse LD50 intraperitoneal 3590mg/kg (3590mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse LD50 intravenous 1290mg/kg (1290mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
mouse LD50 oral 600mg/kg (600mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 119, 1982.
mouse LD50 subcutaneous 3590mg/kg (3590mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.40E+01 deg C   EXP
Boiling Point 186.1 deg C   EXP
pKa Dissociation Constant 4.84 (none) 25 EXP
log P (octanol-water) 1.39 (none)   EXP
Water Solubility 2.40E+04 mg/L 25 EXP
Vapor Pressure 0.196 mm Hg 25 EXP
Henry's Law Constant 4.72E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.11E-12 cm3/molecule-sec 25 EST

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