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

CAS: 66-25-1 Cat. No.: C109200 分子式: C₆H₁₂O 分子量: 100.16 Beilstein Registry Number: 506198 EC番号: 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

概要

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

同義語

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

仕様と純度

Standard for GC, ≥99%(GC)

保管条件

Room temperature,Argon charged

入荷

FedEx DG Service

等級

Standard for GC

純度

≥99%(GC)

名前と識別子

パブケム・シド

508813820

カノニカル・スマイル

CCCCCC=O

IUPAC Name

hexanal

InChIKey

JARKCYVAAOWBJS-UHFFFAOYSA-N

INCHI

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

異性体SMILES

CCCCCC=O

WGKドイツ

1

RTECS

MN7175000

UN番号

1207

包装グループ

III

分子量

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

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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: 1.4039
• 引火点（°F）: 89.6 °F
• 引火点（°C）: 32℃
• 沸点（°C）: 128.8°C
• 融点（°C）: -56.3°C
• 分子量: 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