Fumaric acid

Compound Structure:

Synonyms:

fumaric acid; trans-Butenedioic acid; Allomaleic acid; fumarate; Lichenic acid; Boletic acid; 2-Butenedioic acid; (2E)-but-2-enedioic acid; Tumaric acid; trans-1,2-Ethylenedicarboxylic acid; Allomalenic acid; But-2-enedioic acid; (E)-2-Butenedioic acid

Compound ID:

NMPC-1058

PubChem ID:

444972

Molecular Formula:

C4H4O4

Canonical SMILES:

C(=CC(=O)O)C(=O)O

InChIKey:

VZCYOOQTPOCHFL-OWOJBTEDSA-N

About the compound:

GHS Hazard Statements

H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]

First Aid

When encountering someone affected by hazardous materials, first ensure to remove any contact lenses and rinse their eyes with water or saline for 20-30 minutes, while seeking medical guidance. Avoid using any substances in the eyes unless advised by a doctor, and ensure the individual receives medical attention promptly, regardless of the presence of symptoms.

For skin exposure, quickly rinse the skin with water, remove any contaminated clothing, and clean the area with soap. Should there be any signs of irritation, contact a healthcare provider immediately and be ready for hospitalization.

If the hazardous material is inhaled, the person should move to a fresh air environment immediately. Any signs of respiratory distress necessitate immediate medical attention and potential hospital transfer. Rescuers need to wear adequate respiratory protection, preferably an SCBA, or another form of protection if that's not available.

In case of ingestion, avoid inducing vomiting. If the person is awake and not experiencing seizures, give them water to help dilute the ingested substance and contact medical services right away. For someone in convulsions or unconscious, maintain their airway open, position them on their side with their head lower than the body, and do not administer anything by mouth. Immediate medical evaluation and transportation to a hospital are critical.

These steps aim to manage and mitigate exposure to harmful substances across different scenarios, emphasizing the urgency of medical intervention and the specific actions to take in response to eye, skin, inhalation, and ingestion exposures.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	116.07 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	116.01095860 g/mol
Monoisotopic Mass	116.01095860 g/mol
Topological Polar Surface Area	74.6Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	119
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Fumaric acid appears as a colorless crystalline solid. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Combustible, though may be difficult to ignite. Used to make paints and plastics, in food processing and preservation, and for other uses.
Boiling Point	522°C
Melting Point	287 °C decomposes
Solubility	Soluble in ethanol, concentrated sulfuric acid; slightly soluble in ethyl ether, acetone
Vapor Pressure	0.000154 [mmHg]

Source: PubChem

Source Species:

Hippocratea indica
Paullinia pinnata
Picralima nitida

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