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Substance Name: Caproic acid
RN: 142-62-1
UNII: 1F8SN134MX
InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N

Note

  • Derivatives of caproic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated six carbon aliphatic structure.

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.159
 

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • Caproic acid
  • Hexanoic acid
  • n-Caproic acid

Synonyms

  • 1-Hexanoic acid
  • 1-Pentanecarboxylic acid
  • 4-02-00-00917 (Beilstein Handbook Reference)
  • AI3-07701
  • BRN 0773837
  • Butylacetic acid
  • Caproic acid
  • Capronic acid
  • CCRIS 1347
  • EC 205-550-7
  • EINECS 205-550-7
  • FEMA No. 2559
  • Hexacid 698
  • Hexanoic acid
  • Hexanoic acid (natural)
  • Hexoic acid
  • HSDB 6813
  • Kyselina kapronova
  • Kyselina kapronova [Czech]
  • n-Caproic acid
  • n-Hexanoic acid
  • n-Hexoic acid
  • n-Hexylic acid
  • NSC 8266
  • Pentanecarboxylic acid
  • Pentiformic acid
  • Pentylformic acid
  • UNII-1F8SN134MX

Systematic Name

  • Hexanoic acid

Superlist Names

  • Caproic acid
  • Caproic acid [UN2829] [Corrosive]
  • Hexanoic acid
  • UN2829

Registry Numbers

CAS Registry Number

  • 142-62-1

FDA UNII

  • 1F8SN134MX

Other Registry Number

  • 53896-26-7

Related Registry Numbers

  • 10051-44-2 (sodium salt)
  • 13476-79-4 (copper(2+) salt)
  • 16571-42-9 (manganese(2+) salt)
  • 19455-00-6 (potassium salt)
  • 38708-95-1 (calcium salt)

System Generated Number

  • 0000142621

Structure Descriptors

InChI

1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

InChIKey

FUZZWVXGSFPDMH-UHFFFAOYSA-N

Smiles

C(CCCC)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 5mL/kg (5mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
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. 32, 1982.
mouse LD50 intraperitoneal 3180mg/kg (3180mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse LD50 intravenous 1725mg/kg (1725mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.
mouse LD50 oral 5gm/kg (5000mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 32, 1982.
mouse LD50 subcutaneous 3180mg/kg (3180mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
rabbit LD50 skin 630uL/kg (0.63mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 2050uL/kg (2.05mL/kg)   Union Carbide Data Sheet. Vol. 11/2/1971,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.00E+00 deg C   EXP
Boiling Point 205.2 deg C   EXP
pKa Dissociation Constant 4.879 (none) 25 EXP
log P (octanol-water) 1.92 (none)   EXP
Water Solubility 1.03E+04 mg/L 25 EXP
Vapor Pressure 0.0435 mm Hg 25 EXP
Henry's Law Constant 7.58E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.91E-12 cm3/molecule-sec 25 EST

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