Caproaldehyde - Standard for GC, ≥99%(GC) , CAS No.66-25-1

CAS: 66-25-1 Cat. No.: C109200 Summenformel: C₆H₁₂O Molekulargewicht: 100.16 Beilstein Registry Number: 506198 EG-Nummer: 200-624-5

GRADE & PURITY Standard for GC, ≥99%(GC)

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

Room temperature,Argon charged

Shipped In

FedEx DG Service

Übersicht

Hexanal is an oxidation product of linoleic acid and is a dominant volatile aldehyde. It could work as an indicator of lipid oxidation for cooked meat and meat flavor deterioration.

Specifications

Synonyme

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

Spezifikationen & Reinheit

Standard for GC, ≥99%(GC)

Storage

Room temperature,Argon charged

Verschickt in

FedEx DG Service

Note

Standard for GC

Reinheit

≥99%(GC)

Namen und Kennungen

Pubchem Sid

508813820

Kanonisches Lächeln

CCCCCC=O

IUPAC Name

hexanal

InChIKey

JARKCYVAAOWBJS-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CCCCCC=O

WGK Deutschland

1

RTECS

MN7175000

UN-Nummer

1207

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.4039
• Flammpunkt (°F): 89.6 °F
• Flammpunkt (°C): 32℃
• Siedepunkt (°C): 128.8°C
• Schmelzpunkt (°C): -56.3°C
• Molekulargewicht: 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