ethyl sorbate - ≥98% , CAS No.2396-84-1

CAS: 2396-84-1 Cat. No.: E132577 Fórmula: C₈H₁₂O₂ Peso molecular: 140.18 Beilstein Registry Number: 2484 Número CE: 219-258-2

GRADE & PURITY ≥98%

Synonyms

NSC 8874 | NSC 8874 | LMFA07010882 | Ethyl 2,4-hexadienoate, (E,E)- | Ethyl 2,4-dimethyl-2,4-hexadienoate, not E,E, # 1 | Sorbic Acid Ethyl Ester | ETHYL SORBATE | Ethyl sorbate, 98% | (2E,4E)-ethyl hexa-2,4-dienoate | 2,4-Hexadienoic acid, ethyl ester, (

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Visão geral

Ethyl sorbate is an active compound for electroantennographic detection.
Ethyl sorbate was used in the synthesis of O-allyl-N,N-dimethyl-D-pyrrolosamine.

Specifications

Sinónimos

NSC 8874 | NSC 8874 | LMFA07010882 | Ethyl 2,4-hexadienoate, (E,E)- | Ethyl 2,4-dimethyl-2,4-hexadienoate, not E,E, # 1 | Sorbic Acid Ethyl Ester | ETHYL SORBATE | Ethyl sorbate, 98% | (2E,4E)-ethyl hexa-2,4-dienoate | 2,4-Hexadienoic acid, ethyl ester, (

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged,Desiccated

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488191960
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191960
• Sorrisos canónicos: CCOC(=O)C=CC=CC
• IUPAC Name: ethyl (2E,4E)-hexa-2,4-dienoate
• InChIKey: OZZYKXXGCOLLLO-TWTPFVCWSA-N
• INCHI: 1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+
• SMILES isoméricas: CCOC(=O)/C=C/C=C/C
• WGK Alemanha: 2
• RTECS: WG2143000
• Peso molecular: 140.18
• Beilstein: 2484
• Reaxy-Rn: 1362941
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362941&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: Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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

Alvos associados (não humanos)

Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus niger (16508 Activities)

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Bacillus subtilis (32866 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Índice de refração: 1.49
• Ponto de inflamação (°F): 156.2 °F
• Ponto de inflamação (°C): 86°C(lit.)
• Ponto de ebulição (°C): 76 °C/14 mmHg
• Peso molecular: 140.180 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 140.084 Da
• Monoisotopic Mass: 140.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 145.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.