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

CAS: 66-25-1 Cat. No.: C109200 분자식: C₆H₁₂O 분자량: 100.16 Beilstein Registry Number: 506198 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Standard for GC, ≥99%(GC)

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

등급

Standard for GC

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

508813820

정식 스마일

CCCCCC=O

IUPAC Name

hexanal

InChIKey

JARKCYVAAOWBJS-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CCCCCC=O

WGK 독일

1

RTECS

MN7175000

UN 번호

1207

포장 그룹

III

분자량

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
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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관련 대상(비인간)

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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작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive
• 굴절률: 1.4039
• 발화점(°F): 89.6 °F
• 발화점(°C): 32℃
• 끓는점(°C): 128.8°C
• 녹는점(°C): -56.3°C
• 분자량: 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