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Substance Name: Citraconic acid
RN: 498-23-7
UNII: 0RQ6CXO9KD
InChIKey: HNEGQIOMVPPMNR-IHWYPQMZSA-N

Classification Code

  • Dermatologic Agents

Molecular Formula

  • C5-H6-O4

Molecular Weight

  • 130.098
 
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Names and Synonyms

Name of Substance

  • Citraconic acid

Synonyms

  • (E)-Methylbutendiasure
  • (Z)-2-Methyl-2-butenedioic acid
  • 2-Methyl-2-butenedioic acid
  • 4-02-00-02230 (Beilstein Handbook Reference)
  • BRN 1722679
  • cis-Methylbutenedioic acid
  • Citraconic acid
  • Citraconsaeure
  • EINECS 207-858-7
  • Kyselina citrakonova
  • Kyselina citrakonova [Czech]
  • Maleic acid, methyl-
  • Methyl-maleinsaeure
  • Methylmaleic acid
  • NSC 32949
  • UNII-0RQ6CXO9KD

Systematic Names

  • 2-Butenedioic acid, 2-methyl-, (Z)- (9CI)
  • Citraconic acid

Registry Numbers

CAS Registry Number

  • 498-23-7

FDA UNII

  • 0RQ6CXO9KD

System Generated Number

  • 0000498237

Structure Descriptors

InChI

1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-

InChIKey

HNEGQIOMVPPMNR-IHWYPQMZSA-N

Smiles

C(=C/C(O)=O)(\C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1350mg/kg (1350mg/kg) GASTROINTESTINAL: GASTRITIS Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
mouse LD50 oral 2260mg/kg (2260mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 oral 1320mg/kg (1320mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BEHAVIORAL: TREMOR
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 93.5 deg C   EXP
log P (octanol-water) 0.600 (none)   EST
Water Solubility 7.83E+05 mg/L 25 EXP
Atmospheric OH Rate Constant 1.18E-11 cm3/molecule-sec 25 EST

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