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

CAS: 541-57-1 Cat. No.: T103765 Fórmula: C₄H₄O₃ Peso molecular: 100.07 Número EC: 208-785-3 PubChem CID: 54683813

GRADE & PURITY ≥95%

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- | W-200418 | EINECS 208-785-3 | 4-Hydroxy-2,5-dihydrofuran-2-one | 4-hyd

Storage

Room temperature

Shipped In

Normal

Descripción general

Equivalent to the -lactone of 4-hydroxyacetoacetic acid

Specifications

Sinónimos

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- | W-200418 | EINECS 208-785-3 | 4-Hydroxy-2,5-dihydrofuran-2-one | 4-hyd

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504771362

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771362

Sonrisas canónicas

C1C(=CC(=O)O1)O

IUPAC Name

3-hydroxy-2H-furan-5-one

InChIKey

JZQBAGOECGRTSA-UHFFFAOYSA-N

INCHI

1S/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2

Isómeros SMILES

C1C(=CC(=O)O1)O

PubChem CID

54683813

Peso molecular

100.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

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

Propiedades químicas y físicas

• Solubilidad: Soluble in water, DMSO, acetonitrile , and alcohol.
• Punto de fusión (°C): 135-137°C
• Peso molecular: 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 Ų
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 541-57-1, the molecular formula is C4H4O3, and the molecular weight is 100.07 g/mol. InChIKey JZQBAGOECGRTSA-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.