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

CAS: 142-83-6 Cat. No.: H156882 Molecular Weight: 96.13 Beilstein Registry Number: 1698400 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504759626
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759626
• Canonical Smiles: 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+
• Isomeric SMILES: C/C=C/C=C/C=O
• WGK Germany: 3
• RTECS: WG1925000
• UN Number: 2922
• Packing Group: III
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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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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Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Solubility: It is Insoluble in water, but soluble in ethanol.
• Sensitivity: air sensitive
• Refractive Index: 1.541
• Flash Point(°F): 152.6 °F
• Flash Point(°C): 67°C
• Boil Point(°C): 69 °C/20 mmHg
• Molecular Weight: 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

References

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]