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tetronic acid - 96%, high purity , CAS No.4971-56-6

COA

Grade & Purity:

≥96%

Cas Number: 4971-56-6
Molecular Weight: 100.07
Beilstein Registry Number: 108442
EC Number: 225-617-4
MDL number: MFCD00010086
PubChem CID: 521261
PubChem SID: 504759095

In stock

Item Number

T101326

Grouped product items
SKU	Size	Availability	Price
T101326-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
T101326-1g	1g	3	$58.90
T101326-5g	5g	3	$225.90

View related series

lactone (49) Non heterocyclic block (8163)

Basic Description

Synonyms	N2B9NB89C0 \| EINECS 225-617-4 \| diethyleneglycolmonobutylether \| oxolane-2,4-dione \| T72521 \| NoName_1711 \| Butanoic acid, 4-hydroxy-3-oxo-, .gamma.-lactone \| UNII-N2B9NB89C0 \| SCHEMBL120199 \| CS-W016655 \| DTXSID30902467 \| FT-0635492 \| T1137 \| Furan-2,4(3
Specifications & Purity	≥96%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Lactones
    - Subclass Gamma butyrolactones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Lactones
Subclass	Gamma butyrolactones
Intermediate Tree Nodes	Not available
Direct Parent	Gamma butyrolactones
Alternative Parents	Furanones 1,3-dicarbonyl compounds Tetrahydrofurans Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	3-furanone - Gamma butyrolactone - 1,3-dicarbonyl compound - Tetrahydrofuran - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen 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

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	504759095
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759095
IUPAC Name	oxolane-2,4-dione
INCHI	InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2
InChIKey	JCGNDDUYTRNOFT-UHFFFAOYSA-N
Smiles	C1C(=O)COC1=O
Isomeric SMILES	C1C(=O)COC1=O
WGK Germany	3
PubChem CID	521261
Molecular Weight	100.07
Beilstein	108442
Reaxy-Rn	108442

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
F1927004	Certificate of Analysis	Apr 14, 2023	T101326
K2119599	Certificate of Analysis	Nov 26, 2021	T101326
K2322129	Certificate of Analysis	Nov 26, 2021	T101326

Chemical and Physical Properties

Solubility	Soluble in water
Sensitivity	heat sensitive，air sensitive
Melt Point(°C)	141-143°C
Molecular Weight	100.070 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	100.016 Da
Monoisotopic Mass	100.016 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	116.000
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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