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

CAS: 142-83-6 Cat. No.: H156882 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

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

se utilizó trans,trans-2,4-Hexadienal (aldehído sórbico) en la síntesis de cicloaductos quirales.

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

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

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

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

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

Discover Target: THRB

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

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

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

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

Referencias

1. Chang He, Jingtao Zhou, Yuchuan Li, De zhang, Bernard Ntezimana, Junyu Zhu, Xiaoyong Wang, Wenluan Xu, Xiaoju Wen, Yuqiong Chen, Zhi Yu, Yu Wang, Dejiang Ni.  (2023)  The aroma characteristics of oolong tea are jointly determined by processing mode and tea cultivars.  Food Chemistry-X,      [PMID:37397208] [10.1016/j.fochx.2023.100730]

2. Wan-Qing Huang, Guang Zeng, Jun-Rui Zhi, Xin-Yue Qiu, Zhen-Juan Yin.  (2022)  Exogenous Calcium Suppresses the Oviposition Choices of Frankliniella occidentalis (Thysanoptera: Thripidae) and Promotes the Attraction of Orius similis (Hemiptera: Anthocoridae) by Altering Volatile Blend Emissions in Kidney Bean Plants.  Insects,  13  (12): (1127).  [PMID:36555037] [10.3390/insects13121127]

3. Weibin Ma, Eric T. Johnson.  (2021)  Natural flavour (E,E)-2,4-heptadienal as a potential fumigant for control of Aspergillus flavus in stored peanut seeds: Finding new antifungal agents based on preservative sorbic acid.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2021.107938]

4. Haiyan Li, Zekun Jin, Nengguo Tao.  (2025)  (E)-2-Hexenal-loaded ethyl cellulose/agarose aerogel: Preparation, characterization and application in fresh rice noodles preservation.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40113004] [10.1016/j.ijbiomac.2025.142138]