Diethyl acetylmalonate - ≥85% , CAS No.570-08-1

CAS: 570-08-1 Cat. No.: D119375 Formula: C₉H₁₄O₅ Peso molecolare: 202.21 Beilstein Registry Number: 1781401 Numero EC: 681-012-9

GRADE & PURITY ≥85%

Synonyms

Diethyl acetomalonate | EN300-70640 | DTXSID4020373 | O11718 | SCHEMBL26302 | MFCD00026876 | diethyl 2-acetylpropanedioate | 1,3-diethyl 2-acetylpropanedioate | NSC227297 | NSC-227297 | SY017784 | Acetylmalonic acid diethyl ester | diethyl alpha-acetyl-ma

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Diethyl acetomalonate | EN300-70640 | DTXSID4020373 | O11718 | SCHEMBL26302 | MFCD00026876 | diethyl 2-acetylpropanedioate | 1,3-diethyl 2-acetylpropanedioate | NSC227297 | NSC-227297 | SY017784 | Acetylmalonic acid diethyl ester | diethyl alpha-acetyl-ma

Specifiche e purezza

≥85%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥85%

Nomi e identificatori

• Pubchem Sid: 488187868
• Sorrisi canonici: CCOC(=O)C(C(=O)C)C(=O)OCC
• IUPAC Name: diethyl 2-acetylpropanedioate
• InChIKey: SQAUUQRBOCJRCW-UHFFFAOYSA-N
• INCHI: 1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3
• Isomeri SMILES: CCOC(=O)C(C(=O)C)C(=O)OCC
• Peso molecolare: 202.21
• Beilstein: 1781401
• Reaxy-Rn: 1781401
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781401&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 Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Ketone - Carboxylic acid ester - 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

• Punto di ebollizione (°C): 119-120°/17mm
• Peso molecolare: 202.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 202.084 Da
• Monoisotopic Mass: 202.084 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 215.000
• 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 ≥85% 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 570-08-1, the molecular formula is C9H14O5, and the molecular weight is 202.21 g/mol. InChIKey SQAUUQRBOCJRCW-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.