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Substance Name: Fumaric acid [NF]
RN: 110-17-8
UNII: 88XHZ13131
InChIKey: VZCYOOQTPOCHFL-OWOJBTEDSA-N

Note

  • Use FUMARATES for general fumaric acid esters.

Molecular Formula

  • C4-H4-O4

Molecular Weight

  • 116.0716
 

Classification Codes

Classification Codes

  • Antibacterial
  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Code

  • Reportable Quantity (RQ) = 5000 lb

Names and Synonyms

Name of Substance

  • 2-Butenedioic acid
  • Fumaric acid
  • Fumaric acid [NF]

Synonyms

  • 1,2-Ethenedicarboxylic acid, trans-
  • 1,2-Ethylenedicarboxylic acid, (E)
  • 2-Butenedioic acid, (E)-
  • 4-02-00-02202 (Beilstein Handbook Reference)
  • AI3-24236
  • Allomaleic acid
  • Allomalenic acid
  • Boletic acid
  • BRN 0605763
  • Butenedioic acid, (E)-
  • Caswell No. 465E
  • CCRIS 1039
  • EC 203-743-0
  • EINECS 203-743-0
  • EPA Pesticide Chemical Code 051201
  • FEMA No. 2488
  • FEMA Number 2488
  • Fumaric acid
  • Fumaricum acidum
  • HSDB 710
  • Kyselina fumarova
  • Kyselina fumarova [Czech]
  • Lichenic acid
  • Lichenic acid (VAN)
  • NSC-2752
  • trans-1,2-Ethylenedicarboxylic acid
  • trans-Butenedioic acid
  • Tumaric acid
  • U-1149
  • UNII-88XHZ13131
  • USAF EK-P-583

Systematic Names

  • 2-Butenedioic acid (2E)-
  • 2-Butenedioic acid, (E)-
  • Fumaric acid

Superlist Names

  • 2-Butenedioic acid (E)-
  • Fumaric acid

Mixture Name

  • Guna-lympho

Registry Numbers

CAS Registry Number

  • 110-17-8

FDA UNII

  • 88XHZ13131

Other Registry Numbers

  • 623158-97-4
  • 909873-99-0

System Generated Number

  • 0000110178

Structure Descriptors

InChI

1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+

InChIKey

VZCYOOQTPOCHFL-OWOJBTEDSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 unreported 5gm/kg (5000mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: EXCITEMENT

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.
rabbit LDLo oral 5gm/kg (5000mg/kg)   Industrial and Engineering Chemistry. Vol. 15, Pg. 628, 1923.
rat LD50 oral 9300mg/kg (9300mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rat LD50 unreported 6800mg/kg (6800mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: EXCITEMENT
Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.
rat LDLo intraperitoneal 587mg/kg (587mg/kg) LIVER: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES

BLOOD: HEMORRHAGE
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 35, Pg. 298, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 287 dec deg C   EXP
Boiling Point 522 deg C   EXP
pKa Dissociation Constant 3.03 (none) 18 EXP
log P (octanol-water) 0.46 (none)   EXP
Water Solubility 7000 mg/L 25 EXP
Henry's Law Constant 8.50E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.95E-12 cm3/molecule-sec 25 EST

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