Diethyl Dipropylmalonate - ≥97%(GC) , CAS No.6065-63-0

CAS: 6065-63-0 Cat. No.: D134504 Formule: C₁₃H₂₄O₄ Poids moléculaire: 244.33 Beilstein Registry Number: 2(3)1796 Numéro CE: 227-998-2

GRADE & PURITY ≥97%(GC)

Synonyms

SR-01000944906 | NSC163902 | NSC-163902 | 4-Piperidinone, 1-(2-phenylethyl)- | DTXSID7057783 | Propanedioic acid, dipropyl-, diethyl ester | CAS-6065-63-0 | H11283 | EC 227-998-2 | NSC75600 | EINECS 227-998-2 | BRN 0782669 | SCHEMBL2353115 | NCGC00253675-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SR-01000944906 | NSC163902 | NSC-163902 | 4-Piperidinone, 1-(2-phenylethyl)- | DTXSID7057783 | Propanedioic acid, dipropyl-, diethyl ester | CAS-6065-63-0 | H11283 | EC 227-998-2 | NSC75600 | EINECS 227-998-2 | BRN 0782669 | SCHEMBL2353115 | NCGC00253675-

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%(GC)

Noms et identifiants

• Pubchem Sid: 488185821
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185821
• Sourires canoniques: CCCC(CCC)(C(=O)OCC)C(=O)OCC
• IUPAC Name: diethyl 2,2-dipropylpropanedioate
• InChIKey: NNDOHYGFLASMFR-UHFFFAOYSA-N
• INCHI: 1S/C13H24O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-10H2,1-4H3
• Isomères SMILES: CCCC(CCC)(C(=O)OCC)C(=O)OCC
• Poids moléculaire: 244.33
• Beilstein: 2(3)1796
• Reaxy-Rn: 1787599
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1787599&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: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.43
• Point d'éclair (°C): 114 °C
• Point d'ébullition (°C): 249 °C
• Poids moléculaire: 244.330 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 244.167 Da
• Monoisotopic Mass: 244.167 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 222.000
• 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

Foire aux questions

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 6065-63-0, the molecular formula is C13H24O4, and the molecular weight is 244.33 g/mol. InChIKey NNDOHYGFLASMFR-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.