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Ethyl 2-Furoate - ≥98%, high purity , CAS No.1335-40-6
Basic Description
Synonyms
ETHYL 2-FUROATE | Ethyl furan-2-carboxylate | 614-99-3 | Ethyl furoate | 1335-40-6 | 2-Furancarboxylic acid, ethyl ester | Ethyl 2-furancarboxylate | Ethyl pyromucate | Ethyl2-furoate | Ethyl-2-furoate | 2-Carboethoxyfuran | Furan-2-carboxylic acid ethyl ester | 2-Furoic acid, e
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furans
Subclass
Furoic acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Furoic acid esters
Alternative Parents
Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furoic acid ester - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504752228
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752228
IUPAC Name
ethyl furan-2-carboxylate
INCHI
InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey
NHXSTXWKZVAVOQ-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=CC=CO1
Isomeric SMILES
CCOC(=O)C1=CC=CO1
Molecular Weight
140.14
Reaxy-Rn
2653
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2653&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
70.6ºC
Boil Point(°C)
196.8ºC
Melt Point(°C)
32-37ºC
Molecular Weight
140.140 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
140.047 Da
Monoisotopic Mass
140.047 Da
Topological Polar Surface Area
39.400 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
122.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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