Diethyl 2-hydroxypentanedioate - ≥95% , CAS No.69134-53-8

CAS: 69134-53-8 Cat. No.: D194605 Formule: C₉H₁₆O₅ Poids moléculaire: 204.22

GRADE & PURITY ≥95%

Synonyms

Diethyl2-hydroxyglutarate,2-Hydroxyglutaricaciddiethylester | SCHEMBL8100254 | Pentanedioic acid,2-hydroxy-,1,5-diethyl ester | diethyl2-hydroxypentanedioate | DS-9352 | 2-hydroxyglutaric acid diethyl ester | DTXSID90533579 | PENTANEDIOIC ACID, 2-HYDROXY-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

Diethyl2-hydroxyglutarate,2-Hydroxyglutaricaciddiethylester | SCHEMBL8100254 | Pentanedioic acid,2-hydroxy-,1,5-diethyl ester | diethyl2-hydroxypentanedioate | DS-9352 | 2-hydroxyglutaric acid diethyl ester | DTXSID90533579 | PENTANEDIOIC ACID, 2-HYDROXY-

Spécifications et pureté

≥95%

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

≥95%

Noms et identifiants

• Sourires canoniques: CCOC(=O)CCC(C(=O)OCC)O
• IUPAC Name: diethyl 2-hydroxypentanedioate
• InChIKey: DYLHSDCNOUDICA-UHFFFAOYSA-N
• INCHI: 1S/C9H16O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7,10H,3-6H2,1-2H3
• Isomères SMILES: CCOC(=O)CCC(C(=O)OCC)O
• Poids moléculaire: 204.22
• Reaxy-Rn: 1726673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Monosaccharides Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Monosaccharide - 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
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: diester

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

• Poids moléculaire: 204.220 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 204.1 Da
• Monoisotopic Mass: 204.1 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 190.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% 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 69134-53-8, the molecular formula is C9H16O5, and the molecular weight is 204.22 g/mol. InChIKey DYLHSDCNOUDICA-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.