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Tetronic acid - 95%, high purity , CAS No.541-57-1

COA

Grade & Purity:

≥95%

Cas Number: 541-57-1
Molecular Weight: 100.07
PubChem CID: 54683813
PubChem SID: 504771362

In stock

Item Number

T103765

Grouped product items
SKU	Size	Availability	Price
T103765-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
T103765-1g	1g	3	$87.90
T103765-5g	5g	3	$337.90
T103765-25g	25g	3	$1,340.90

Basic Description

Synonyms	InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2 \| MFCD00052187 \| STL360291 \| SB61051 \| SY008930 \| 2(5H)-Furanone, 4-hydroxy- \| 2,5-Dihydro-4-hydroxyfuran-2-one \| JZQBAGOECGRTSA-UHFFFAOYSA- \| CS-W013716 \| W-200418 \| EINECS 208-785-3 \| 4-Hydroxy-2,5-dihydrofuran-
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	Equivalent to the -lactone of 4-hydroxyacetoacetic acid

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 acids Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Enols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-furanone - Enoate ester - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Enol - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - 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

Names and Identifiers

Pubchem Sid	504771362
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771362
IUPAC Name	3-hydroxy-2H-furan-5-one
INCHI	InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2
InChIKey	JZQBAGOECGRTSA-UHFFFAOYSA-N
Smiles	C1C(=CC(=O)O1)O
Isomeric SMILES	C1C(=CC(=O)O1)O
PubChem CID	54683813
Molecular Weight	100.07

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
H2224461	Certificate of Analysis	Jun 17, 2022	T103765
H2224462	Certificate of Analysis	Jun 17, 2022	T103765
H2224460	Certificate of Analysis	Jun 17, 2022	T103765

Chemical and Physical Properties

Solubility	Soluble in water, DMSO, acetonitrile , and alcohol.
Melt Point(°C)	135-137°C
Molecular Weight	100.070 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	100.016 Da
Monoisotopic Mass	100.016 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	125.000
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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