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

CAS: 2396-84-1 Cat. No.: E132577 分子式: C₈H₁₂O₂ 分子量: 140.18 Beilstein Registry Number: 2484 EC番号: 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

概要

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

同義語

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, (

仕様と純度

≥98%

保管条件

Room temperature,Argon charged,Desiccated

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488191960
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488191960
• カノニカル・スマイル: 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+
• 異性体SMILES: CCOC(=O)/C=C/C=C/C
• WGKドイツ: 2
• RTECS: WG2143000
• 分子量: 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
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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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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作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive
• 屈折率: 1.49
• 引火点（°F）: 156.2 °F
• 引火点（°C）: 86°C(lit.)
• 沸点（°C）: 76 °C/14 mmHg
• 分子量: 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

よくある質問

How is this product shipped?

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