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4-Methoxy-2(5H)-furanone - 97%, high purity , CAS No.69556-70-3

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4-Methoxy-2(5H)-furanone - 97%, high purity , CAS No.69556-70-3

COA

Grade & Purity:

≥97%

Cas Number: 69556-70-3
Molecular Weight: 114.10
MDL number: MFCD00071565
PubChem CID: 643477

In stock

Item Number

M474383

Grouped product items
SKU	Size	Availability	Price
M474383-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
M474383-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$91.90
M474383-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$132.90

Basic Description

Synonyms	FT-0618872 \| 4-Methoxy-5H-furan-2-one \| VOYDEHILKLSVNN-UHFFFAOYSA-N \| 4-methoxy-2,5-dihydrofuran-2-one \| InChI=1/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H \| W-200483 \| 3-methoxy-2H-furan-5-one \| MFCD00071565 \| SCHEMBL1309748 \| E81591 \| EN300-7592559 \| 4-methox
Specifications & Purity	≥97%
Product Description	4-Methoxy-2(5H)-furanone is a furanone. 4-Methoxy-2(5H)-furanone is isolated from Narthecium asiaticum maxim leave samples and is reported to cause nephrotoxicity in cattle Application： 4-Methoxy-2(5H)-furanone may be used as starting reagent in the synthesis of 5-alkylidene 4-methoxy-2(5H)-furanone

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dihydrofurans
    - Subclass Furanones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydrofurans
Subclass	Furanones
Intermediate Tree Nodes	Not available
Direct Parent	Butenolides
Alternative Parents	Vinylogous esters Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-furanone - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-methoxy-2H-furan-5-one
INCHI	InChI=1S/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3
InChIKey	VOYDEHILKLSVNN-UHFFFAOYSA-N
Smiles	COC1=CC(=O)OC1
Isomeric SMILES	COC1=CC(=O)OC1
WGK Germany	3
Molecular Weight	114.10
Reaxy-Rn	110228
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110228&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	105 °C/0.5 mmHg
Melt Point(°C)	62-64 °C
Molecular Weight	114.100 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	114.032 Da
Monoisotopic Mass	114.032 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	137.000
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

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