Basic information
- 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 properties
- 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
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
Suppliers10 total
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Xiamen Eagle Chemical Limited Corporation+86-18900207489 · [email protected]
LUYUNJIA CHEMISTRY XIAMEN LIMITED+86-592-5360779 +86-13055435203
潍坊市伟蒙化工有限公司QQ 1340191485 15105445095 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
佛山道麒生物科技有限公司18062666947 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
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
Linked notes
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