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Substance Name: Butyric acid
RN: 107-92-6
UNII: 40UIR9Q29H
InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N

Note

  • A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.

Molecular Formula

  • C4-H8-O2

Molecular Weight

  • 88.1052
 

Classification Codes

Classification Codes

  • Histamine Agents
  • Histamine Antagonists
  • Mutation Data
  • Neurotransmitter Agents
  • Skin / Eye Irritant

Superlist Classification Code

  • Reportable Quantity (RQ) = 5000 lb

Names and Synonyms

Name of Substance

  • Butyric acid

MeSH Heading

  • Butyric acid

Synonyms

  • 1-Butyric acid
  • 1-Propanecarboxylic acid
  • 4-02-00-00779 (Beilstein Handbook Reference)
  • AI3-15306
  • BRN 0906770
  • Butanic acid
  • Butanoic acid
  • Buttersaeure
  • Buttersaeure [German]
  • Butyrate
  • Butyric acid
  • Butyric acid (natural)
  • CCRIS 6552
  • EC 203-532-3
  • EINECS 203-532-3
  • Ethylacetic acid
  • FEMA No. 2221
  • FEMA Number 2221
  • HSDB 940
  • Kyselina maselna
  • Kyselina maselna [Czech]
  • n-Butanoic acid
  • n-Butyric acid
  • NSC 8415
  • Propylformic acid
  • UNII-40UIR9Q29H

Systematic Names

  • Butanoic acid
  • Butyric acid

Superlist Names

  • Butanoic acid
  • Butyric acid
  • Butyric acid [UN2820] [Corrosive]
  • UN2820

Registry Numbers

CAS Registry Number

  • 107-92-6

FDA UNII

  • 40UIR9Q29H

System Generated Number

  • 0000107926

Structure Descriptors

InChI

1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey

FERIUCNNQQJTOY-UHFFFAOYSA-N

Smiles

C(C(O)=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC inhalation > 500mg/m3 (500mg/m3) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 23(5), Pg. 31, 1958.
mouse LD50 intraperitoneal 3180mg/kg (3180mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse LD50 intravenous 800mg/kg (800mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
mouse LD50 subcutaneous 3180mg/kg (3180mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse LDLo oral 500mg/kg (500mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES

GASTROINTESTINAL: NECROTIC GHANGES

BLOOD: CHANGES IN SPLEEN
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 4, Pg. 19, 1962.
rabbit LD50 skin 530uL/kg (0.53mL/kg)   Union Carbide Data Sheet. Vol. 4/10/1968,
rat LC inhalation > 500mg/m3 (500mg/m3) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 4, Pg. 19, 1962.
rat LD50 oral 2gm/kg (2000mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.70E+00 deg C   EXP
Boiling Point 163.7 deg C   EXP
pKa Dissociation Constant 4.82 (none) 25 EXP
log P (octanol-water) 0.79 (none)   EXP
Water Solubility 6.00E+04 mg/L 25 EXP
Vapor Pressure 1.65 mm Hg 25 EXP
Henry's Law Constant 5.35E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.40E-12 cm3/molecule-sec 25 EXP

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