2,4-Hexadienal - ≥95%(GC) , CAS No.142-83-6

CAS: 142-83-6 Cat. No.: H156882 Fórmula: C₆H₈O Peso molecular: 96.13 Beilstein Registry Number: 1698400 Número EC: 205-564-3

GRADE & PURITY ≥95%(GC)

Synonyms

(E)-2,(E)-4-Hexadienal | e,e-2,4-hexadienal | EN300-113666 | Sorbaldehyde | (E,E)-2,4-Hexadien-1-al | BRN 1698401 | CCRIS 4030 | (2E,4E) hexadienal | CAS-142-83-6 | (E,E)-hexa-2,4-dienal | 2,4-Hexadienal, trans,trans- | Hexa-2,4-dienal, (E,E)- | Hexadiena

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

trans,trans-2,4-Hexadienal (sorbic aldehyde) was used in the synthesis of chiral cycloadducts.

Specifications

Sinónimos

(E)-2,(E)-4-Hexadienal | e,e-2,4-hexadienal | EN300-113666 | Sorbaldehyde | (E,E)-2,4-Hexadien-1-al | BRN 1698401 | CCRIS 4030 | (2E,4E) hexadienal | CAS-142-83-6 | (E,E)-hexa-2,4-dienal | 2,4-Hexadienal, trans,trans- | Hexa-2,4-dienal, (E,E)- | Hexadiena

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504759626
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759626
• Sonrisas canónicas: CC=CC=CC=O
• IUPAC Name: (2E,4E)-hexa-2,4-dienal
• InChIKey: BATOPAZDIZEVQF-MQQKCMAXSA-N
• INCHI: 1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+
• Isómeros SMILES: C/C=C/C=C/C=O
• WGK Alemania: 3
• RTECS: WG1925000
• Número ONU: 2922
• Grupo de embalaje: III
• Peso molecular: 96.13
• Beilstein: 1698400
• Reaxy-Rn: 1736432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736432&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: 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
• 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: 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

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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Lymphoblastoid cell (5959 Activities)

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Objetivos asociados (no humanos)

Salmonella typhimurium (15756 Activities)

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Vibrio parahaemolyticus (473 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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Bacillus cereus (7522 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: It is Insoluble in water, but soluble in ethanol.
• Sensibilidad: air sensitive
• Índice de refracción: 1.541
• Punto de inflamación (°F): 152.6 °F
• Punto de inflamación (°C): 67°C
• Punto de ebullición (°C): 69 °C/20 mmHg
• Peso molecular: 96.130 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 96.0575 Da
• Monoisotopic Mass: 96.0575 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 90.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 142-83-6, the molecular formula is C6H8O, and the molecular weight is 96.13 g/mol. InChIKey BATOPAZDIZEVQF-MQQKCMAXSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.