Dimethyl DL-Malate - ≥97%(GC) , CAS No.1587-15-1

CAS: 1587-15-1 Cat. No.: D155619 Formule: C₆H₁₀O₅ Poids moléculaire: 162.14

GRADE & PURITY ≥97%(GC)

Synonyms

dimethyl 2-hydroxysuccinate | dimethyl 2-hydroxybutanedioate | Dimethyl dl-malate | Dimethyl malate | 1,4-dimethyl 2-hydroxybutanedioate | Butanedioic acid, hydroxy-, dimethyl ester, (A+/-)- | Butanedioic acid, 2-hydroxy-, 1,4-dimethyl ester | DL-Malic Ac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

dimethyl 2-hydroxysuccinate | dimethyl 2-hydroxybutanedioate | Dimethyl dl-malate | Dimethyl malate | 1,4-dimethyl 2-hydroxybutanedioate | Butanedioic acid, hydroxy-, dimethyl ester, (A+/-)- | Butanedioic acid, 2-hydroxy-, 1,4-dimethyl ester | DL-Malic Ac

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

528764189

Sourires canoniques

COC(=O)CC(C(=O)OC)O

IUPAC Name

dimethyl 2-hydroxybutanedioate

InChIKey

YSEKNCXYRGKTBJ-UHFFFAOYSA-N

INCHI

1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3

Isomères SMILES

COC(=O)CC(C(=O)OC)O

CAS alternatif

38115-87-6

Poids moléculaire

162.14

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
    • 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 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.44
• Point d'ébullition (°C): 205°C(lit.)
• Poids moléculaire: 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1