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

CAS: 4971-56-6 Cat. No.: T101326 Formula: C₄H₄O₃ Peso molecolare: 100.07 Beilstein Registry Number: 108442 Numero EC: 225-617-4 PubChem CID: 521261

GRADE & PURITY ≥96%

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 | DTXSID30902467 | FT-0635492 | T1137 | Furan-2,4(3H,5H)-Dione |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

N2B9NB89C0 | EINECS 225-617-4 | diethyleneglycolmonobutylether | oxolane-2,4-dione | T72521 | NoName_1711 | Butanoic acid, 4-hydroxy-3-oxo-, .gamma.-lactone | UNII-N2B9NB89C0 | SCHEMBL120199 | DTXSID30902467 | FT-0635492 | T1137 | Furan-2,4(3H,5H)-Dione |

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

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.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water
• Sensibilità: heat sensitive，air sensitive
• Punto di fusione (°C): 141-143°C
• Peso molecolare: 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 Ų
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4971-56-6, the molecular formula is C4H4O3, and the molecular weight is 100.07 g/mol. InChIKey JCGNDDUYTRNOFT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.