Diethyl L-(-)-Malate - ≥97%(GC) , CAS No.691-84-9

CAS: 691-84-9 Cat. No.: D136832 Fórmula: C₈H₁₄O₅ Peso molecular: 190.2

GRADE & PURITY ≥97%(GC)

Synonyms

AKOS006238365 | Butanedioic acid, 2-hydroxy-, 1,4-diethyl ester, (2S)- | Diethyl L-(-)-Malate | A9163 | EN300-7365668 | Diethyl (S)-(-)-2-hydroxysuccinate | (S)-Diethyl2-hydroxysuccinate | Butanedioic acid, hydroxy-, diethyl ester, (2S)- | (S)-malic acid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS006238365 | Butanedioic acid, 2-hydroxy-, 1,4-diethyl ester, (2S)- | Diethyl L-(-)-Malate | A9163 | EN300-7365668 | Diethyl (S)-(-)-2-hydroxysuccinate | (S)-Diethyl2-hydroxysuccinate | Butanedioic acid, hydroxy-, diethyl ester, (2S)- | (S)-malic acid

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

• Pubchem Sid: 488191990
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191990
• Sorrisos canónicos: CCOC(=O)CC(C(=O)OCC)O
• IUPAC Name: diethyl (2S)-2-hydroxybutanedioate
• InChIKey: VKNUORWMCINMRB-LURJTMIESA-N
• INCHI: 1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m0/s1
• SMILES isoméricas: CCOC(=O)C[C@@H](C(=O)OCC)O
• Peso molecular: 190.2
• Reaxy-Rn: 1725473
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725473&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl 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

Propriedades químicas e físicas

• Índice de refração: 1.44
• Ponto de inflamação (°C): 85 °C
• Peso molecular: 190.190 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 190.084 Da
• Monoisotopic Mass: 190.084 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 177.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referências

1. Datong Wu, Wensheng Tan, Yin Yu, Baozhu Yang, Hongda Li, Yong Kong.  (2018)  A facile avenue to prepare chiral graphene sheets as electrode modification for electrochemical enantiorecognition.  ANALYTICA CHIMICA ACTA,      [PMID:30172332] [10.1016/j.aca.2018.06.029]

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 691-84-9, the molecular formula is C8H14O5, and the molecular weight is 190.2 g/mol. InChIKey VKNUORWMCINMRB-LURJTMIESA-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.