2-Furancarboxylic acid
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Basic information
- CAS
26447-28-9- Standard SMILES
O=C(O)c1ccco1- InChIKey
SMNDYUVBFMFKNZ-UHFFFAOYSA-N- Molecular formula
- C5H4O3
- Average molar mass
- 112.08 g/mol
- Monoisotopic mass
- 112.01604399
Overview
2-furoic acid is a furoic acid having the carboxylic acid group located at position 2. It has a role as an inhibitor, a Saccharomyces cerevisiae metabolite, a plant metabolite, a human xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 2-furoate.
Names & identifiers
- Preferred name
- 2-Furancarboxylic acid
- IUPAC
- furan-2-carboxylic acid
- English name
- Furancarboxylic acid
- Molecular formula
- C5H4O3
- Molecular weight
- 112.08
Names & synonyms
2-FUROIC ACID88-14-22-Furancarboxylic acidPyromucic acid2-Carboxyfuranalpha-Furoic acid2-furanoic acidalpha-Furancarboxylic acidDTXSID6041420NSC-8842P577F6494ADTXCID4021420
Show more names
CHEBI:30845NSC-58965RefChem:909849201-803-0Furan-2-carboxylic acidFUROIC ACIDFurancarboxylic acid26447-28-9
Database identifiers
- CAS
26447-28-9、88-14-2- PubChem CID
- 6919
- DTXSID
DTXSID6041420- ChEMBL
CHEMBL1232797- ChEBI
CHEBI:30845- UNII
- P577F6494A
- EC Number
- 201-803-0、247-713-5
- Nikkaji
- J4.288I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 99.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP
0.64
0.64
Flavoring AgentsEU Flavoring substances
Solubility37.1 mg/mL at 15 °C
Boiling Point230.00 to 232.00 °C. @ 760.00 mm Hg
Melting Point133.5 °C
Physical Description
Liquid
Solid
Physicochemical properties
- Melting point
- 133 °C · 133°C
- Boiling point
- 149.97 °C · 149.97°C (rough estimate)
- Density
- 1.2552 · 1.2552 (rough estimate)
- refractive index
- 1.439 · 1.4390 (estimate)
- EPA Substance Registry System
- Furancarboxylic acid (26447-28-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 34.8% (89 of 256) of reports.
Warning
H315 (64.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Furancarboxylic acid
Chemical: Furancarboxylic acid
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furancarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Furancarboxylic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20061
2-Furancarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - Furancarboxylic acid: Environment tier I assessment
IMAP assessments - 2-Furancarboxylic acid: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (64.5%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 46,843 lb
Consumer UsespH regulating agent
General Manufacturing Information
2-Furancarboxylic acid: ACTIVE
Furancarboxylic acid: INACTIVE
Additional notes
DefinitionChEBI: 2-furoic acid is a furoic acid having the carboxylic acid group located at position 2. It has a role as an inhibitor, a human xenobiotic metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 2-furoate.
Related reactions
860 records
Compound notes
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