(E)-2-Octenal - ≥95% , CAS No.2548-87-0

CAS: 2548-87-0 Cat. No.: O105936 Fórmula: C₈H₁₄O Peso molecular: 126.2 Número CE: 219-833-8

GRAU & PUREZA ≥95%

Synonyms

trans-2-Octenal

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

trans-2-Octenal

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508810525

Sorrisos canónicos

CCCCCC=CC=O

IUPAC Name

(E)-oct-2-enal

InChIKey

LVBXEMGDVWVTGY-VOTSOKGWSA-N

INCHI

1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+

SMILES isoméricas

CCCCC/C=C/C=O

WGK Alemanha

3

RTECS

RH2145000

Peso molecular

126.2

Reaxy-Rn

1751699

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751699&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Enals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Enal - Alpha,beta-unsaturated aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: Fatty aldehydes

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)

Pseudomonas aeruginosa (123386 Activities)

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Proteus vulgaris (5823 Activities)

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Klebsiella aerogenes (4963 Activities)

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Cyberlindnera jadinii (900 Activities)

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Corynebacterium ammoniagenes (75 Activities)

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Cutibacterium acnes (887 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Malassezia (23 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Meloidogyne javanica (98 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Not miscible or difficult to mix in water. Soluble in alcohol and fixed oils.
• Sensibilidade: Air & light sensitive
• Índice de refração: 1.45
• Ponto de inflamação (°F): 160°
• Ponto de inflamação (°C): 71℃
• Ponto de ebulição (°C): 84-86°C
• Peso molecular: 126.200 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 126.104 Da
• Monoisotopic Mass: 126.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1