Diethyl Diallylmalonate - ≥98%(GC) , CAS No.3195-24-2

CAS: 3195-24-2 Cat. No.: D155462 Formule: C₁₃H₂₀O₄ Poids moléculaire: 240.3 Beilstein Registry Number: 2(3)2003 Numéro CE: 221-696-4

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

Malonic acid, diallyl-, diethyl ester | LYUUVYQGUMRKOV-UHFFFAOYSA- | NSC46842 | NSC-46842 | D1183 | diethyl 2,2-bis(prop-2-enyl)propanedioate | AS-37682 | diethyl 2,2-diprop-2-enylpropanedioate | SCHEMBL283884 | DTXSID5044738 | Diethyl diallylmalonate | D

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

Malonic acid, diallyl-, diethyl ester | LYUUVYQGUMRKOV-UHFFFAOYSA- | NSC46842 | NSC-46842 | D1183 | diethyl 2,2-bis(prop-2-enyl)propanedioate | AS-37682 | diethyl 2,2-diprop-2-enylpropanedioate | SCHEMBL283884 | DTXSID5044738 | Diethyl diallylmalonate | D

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488185310

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185310

Sourires canoniques

CCOC(=O)C(CC=C)(CC=C)C(=O)OCC

IUPAC Name

diethyl 2,2-bis(prop-2-enyl)propanedioate

InChIKey

LYUUVYQGUMRKOV-UHFFFAOYSA-N

INCHI

1S/C13H20O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5-6H,1-2,7-10H2,3-4H3

Isomères SMILES

CCOC(=O)C(CC=C)(CC=C)C(=O)OCC

WGK Allemagne

3

Poids moléculaire

240.3

Beilstein

2(3)2003

Reaxy-Rn

1790529

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790529&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

Propriétés chimiques et physiques

• Indice de réfraction: 1.45
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 128°C/16mmHg(lit.)
• Poids moléculaire: 240.290 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 240.136 Da
• Monoisotopic Mass: 240.136 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 264.000
• 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 ≥98% 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 3195-24-2, the molecular formula is C13H20O4, and the molecular weight is 240.3 g/mol. InChIKey LYUUVYQGUMRKOV-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.