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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
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- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
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- Physical Properties
Classification Codes
Classification Codes
- Antibacterial
- Mutation Data
- Skin / Eye Irritant
Superlist Classification Code
- Reportable Quantity (RQ) = 5000 lb
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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
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+InChIKey
VZCYOOQTPOCHFL-OWOJBTEDSA-NSmiles
OC(=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.