Dimethyl L-(-)-Malate - ≥98% , CAS No.617-55-0

CAS: 617-55-0 Cat. No.: D102009 Fórmula: C₆H₁₀O₅ Peso molecular: 162.14 Beilstein Registry Number: 1724363 Número EC: 432-310-0

GRADE & PURITY ≥98%

Synonyms

AKOS015850984 | Dimethyl (2S)-2-hydroxybutanedioate | EN300-198444 | (s)-(-)-dimethyl malate | Dimethyl (S)-(-)-malate | Dimethyl L-malate | L-(-)-Malic acid dimethylester | Butanedioic acid, hydroxy-, dimethyl ester, (2S)- | di-methyl (s)-malate | dimeth

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

AKOS015850984 | Dimethyl (2S)-2-hydroxybutanedioate | EN300-198444 | (s)-(-)-dimethyl malate | Dimethyl (S)-(-)-malate | Dimethyl L-malate | L-(-)-Malic acid dimethylester | Butanedioic acid, hydroxy-, dimethyl ester, (2S)- | di-methyl (s)-malate | dimeth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196611
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196611
• Sonrisas canónicas: COC(=O)CC(C(=O)OC)O
• IUPAC Name: dimethyl (2S)-2-hydroxybutanedioate
• InChIKey: YSEKNCXYRGKTBJ-BYPYZUCNSA-N
• INCHI: 1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3/t4-/m0/s1
• Isómeros SMILES: COC(=O)C[C@@H](C(=O)OC)O
• WGK Alemania: 3
• Número ONU: 1993
• Grupo de embalaje: III
• Peso molecular: 162.14
• Beilstein: 1724363
• Reaxy-Rn: 1724362
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724362&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 methyl esters Dicarboxylic acids and derivatives Methyl esters Secondary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Fatty acid methyl ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.435
• Rotación específica [α]: -7 ° (neat)
• Punto de inflamación (°C): 55 °C
• Punto de ebullición (°C): 108 °C/1 mmHg
• Peso molecular: 162.140 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 162.053 Da
• Monoisotopic Mass: 162.053 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

Referencias

1. Rong Yang, Guozhang Gu, Chen Tang, Zhicheng Miao, Hongwei Cao, Guoxiang Zou, Jinchun Li.  (2022)  Super-tough and flame-retardant poly(lactic acid) materials using a phosphorus-containing malic acid-based copolyester by reactive blending.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2022.109889]

2. Guozhang Gu, Huaiyang Cai, Yutao Wang, Chen Tang, Guoxiang Zou, Jinchun Li, Rong Yang.  (2024)  Preparation of super toughened flame-retardant polylactic acid with an in situ hyperbranched structure by reactive blending with a phosphorus-containing copolyester and hexamethylene glycidyl cyclotriphosphazene.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.156136]

Preguntas frecuentes

What is the purity of this product?

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 617-55-0, the molecular formula is C6H10O5, and the molecular weight is 162.14 g/mol. InChIKey YSEKNCXYRGKTBJ-BYPYZUCNSA-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.