Ethyl acetoacetate-1,2,3,4-¹³C₄ - ≥99 atom% 13C,≥98% , CAS No.84508-55-4

CAS: 84508-55-4 Cat. No.: E474098 Formula: C₂¹³C₄H₁₀O₃ Peso molecolare: 134.11 Numero EC: 685-826-5

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

HY-Y1093S1 | Ethyl Acetoacetate-13C4 | AKOS030242868 | Ethyl 3-oxobutanoate-1,2,3,4-13C4 | Ethyl acetoacetate-1,2,3,4-13C4, 99 atom % 13C, 99% (CP) | ethyl 3-oxo(1,2,3,4-13C4)butanoate | Ethyl acetoacetate(1,2,3,4-13c4) | DTXSID80466786 | Ethyl acetoaceta

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Panoramica

Application：

Ethyl Acetoacetate-13C4 is the isotope labelled analog of Ethyl Acetoacetate , a chemical intermediate used in the production of various analgesics, antibiotics and antimalarial agents.

Specifications

Sinonimi

HY-Y1093S1 | Ethyl Acetoacetate-13C4 | AKOS030242868 | Ethyl 3-oxobutanoate-1,2,3,4-13C4 | Ethyl acetoacetate-1,2,3,4-13C4, 99 atom % 13C, 99% (CP) | ethyl 3-oxo(1,2,3,4-13C4)butanoate | Ethyl acetoacetate(1,2,3,4-13c4) | DTXSID80466786 | Ethyl acetoaceta

Specifiche e purezza

≥99 atom% 13C,≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99 atom% 13C,≥98%

Nomi e identificatori

• Pubchem Sid: 488197529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197529
• Sorrisi canonici: CCOC(=O)CC(=O)C
• IUPAC Name: ethyl 3-oxo(1,2,3,4-13C4)butanoate
• InChIKey: XYIBRDXRRQCHLP-XMUWKQMQSA-N
• INCHI: 1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i2+1,4+1,5+1,6+1
• Isomeri SMILES: CCO[13C](=O)[13CH2][13C](=O)[13CH3]
• CAS alternativo: 141-97-9（Unlabeled）
• Peso molecolare: 134.11
• Reaxy-Rn: 385838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Beta-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Beta-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta-keto acids and derivatives
• Alternative Parents: Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 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

Proprietà chimiche e fisiche

• Sensibilità: Light & Moisture Sensitive
• Indice di rifrazione: 1.419 (lit.)
• Punto di ebollizione (°C): 181 °C (lit.)
• Punto di fusione (°C): −43 °C (lit.)
• Peso molecolare: 134.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.076 Da
• Monoisotopic Mass: 134.076 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 117.000
• Isotope Atom Count: 4
• 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 isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 84508-55-4, the molecular formula is C213C4H10O3, and the molecular weight is 134.11 g/mol. InChIKey XYIBRDXRRQCHLP-XMUWKQMQSA-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.