Caproaldehyde - ≥97% , CAS No.66-25-1

CAS: 66-25-1 Cat. No.: C109199 Fórmula: C₆H₁₂O Peso molecular: 100.16 Beilstein Registry Number: 506198 Número EC: 200-624-5

GRADE & PURITY ≥97%

Synonyms

AI3-15364 | n-Caproaldehyde | NSC 2596 | Hexaldehyde [UN1207] [Flammable liquid] | Caproic aldehyde | Hexanal, 98% | Hexanaldehyde | CCRIS 3219 | FEMA Number 2557 | FT-0631290 | Aldehydes, C6 | Capronaldehyde | UN1207 | Hexanal, natural, >=90%, FG | Hexa

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

AI3-15364 | n-Caproaldehyde | NSC 2596 | Hexaldehyde [UN1207] [Flammable liquid] | Caproic aldehyde | Hexanal, 98% | Hexanaldehyde | CCRIS 3219 | FEMA Number 2557 | FT-0631290 | Aldehydes, C6 | Capronaldehyde | UN1207 | Hexanal, natural, >=90%, FG | Hexa

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

508813370

Sonrisas canónicas

CCCCCC=O

IUPAC Name

hexanal

InChIKey

JARKCYVAAOWBJS-UHFFFAOYSA-N

INCHI

1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3

Isómeros SMILES

CCCCCC=O

WGK Alemania

1

RTECS

MN7175000

Número ONU

1207

Grupo de embalaje

III

Peso molecular

100.16

Beilstein

506198

Reaxy-Rn

506198

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506198&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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: an n-alkanal

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

Objetivos asociados (humanos)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Proteus vulgaris (5823 Activities)

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Salmonella typhimurium (15756 Activities)

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Vibrio parahaemolyticus (473 Activities)

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Staphylococcus aureus (210822 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus mutans (2687 Activities)

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Bacillus subtilis (32866 Activities)

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Listeria monocytogenes (2626 Activities)

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Cyberlindnera jadinii (900 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Bacillus cereus (7522 Activities)

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Corynebacterium ammoniagenes (75 Activities)

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Cutibacterium acnes (887 Activities)

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Penicillium chrysogenum (1593 Activities)

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Myzus persicae (1112 Activities)

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Plutella xylostella (1838 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 acción

Propiedades químicas y físicas

• Solubilidad: Miscible with ethanol, ethyl ether, acetone, benzene and water
• Sensibilidad: air sensitive
• Índice de refracción: 1.4039
• Punto de inflamación (°F): 89.6 °F
• Punto de inflamación (°C): 32℃
• Punto de ebullición (°C): 128.8°C
• Punto de fusión (°C): -56.3°C
• Peso molecular: 100.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 41.400
• 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