Diethyl ethylidenemalonate - ≥99% , CAS No.1462-12-0

CAS: 1462-12-0 Cat. No.: D138247 Fórmula: CH₃CH=C(CO₂C₂H₅)₂ Peso molecular: 186.21 Número CE: 215-965-5

GRADE & PURITY ≥99%

Synonyms

BAA46212 | D71114 | DS-11294 | NSC 1084 | Diethyl ethylidenemalonate | AKOS023552892 | Ethylidenepropanedioic acid diethyl ester | SY014755 | Diethyl 2-ethylidenemalonate | Diethyl 2-ethylidenemalonate # | diethyl 2-ethylidenepropanedioate | Diethyl2-ethy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BAA46212 | D71114 | DS-11294 | NSC 1084 | Diethyl ethylidenemalonate | AKOS023552892 | Ethylidenepropanedioic acid diethyl ester | SY014755 | Diethyl 2-ethylidenemalonate | Diethyl 2-ethylidenemalonate # | diethyl 2-ethylidenepropanedioate | Diethyl2-ethy

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504754741

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754741

Sorrisos canónicos

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

IUPAC Name

diethyl 2-ethylidenepropanedioate

InChIKey

LBBAWVLUOZVYCC-UHFFFAOYSA-N

INCHI

1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

186.21

Reaxy-Rn

1773932

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773932&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 Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.442 (lit.)
• Ponto de inflamação (°F): 230°F
• Ponto de inflamação (°C): >110°C
• Ponto de ebulição (°C): 115-116°/17mm Hg
• Peso molecular: 186.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 186.089 Da
• Monoisotopic Mass: 186.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 198.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). 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 1462-12-0, the molecular formula is C9H14O4, and the molecular weight is 186.21 g/mol. InChIKey LBBAWVLUOZVYCC-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.