trans-2-Pentenal - Moligand™, ≥95%(GC) , Activator of TRPA1, CAS No.1576-87-0, Activator of TRPA1

CAS: 1576-87-0 Cat. No.: T161487 Formula: C₅H₈O Peso molecolare: 84.12 Beilstein Registry Number: 1719740 Numero EC: 216-414-1 PubChem CID: 5364752

GRADE & PURITY Moligand™, ≥95%(GC)

Synonyms

2-Ethylacrylic aldehyde | UNII-7A4R3CQA2T | beta-Aethyl-acrolein | CHEBI:156100 | 2-TRANS-PENTENAL | Pentenal, (E)- | .GAMMA.-METHYLCROTONALDEHYDE | GTPL2417 | A809867 | Caswell No. 573O | ?trans-2-Pentenal | BDBM50203069 | InChI=1/C5H8O/c1-2-3-4-5-6/h3-5

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

2-Ethylacrylic aldehyde | UNII-7A4R3CQA2T | beta-Aethyl-acrolein | CHEBI:156100 | 2-TRANS-PENTENAL | Pentenal, (E)- | .GAMMA.-METHYLCROTONALDEHYDE | GTPL2417 | A809867 | Caswell No. 573O | ?trans-2-Pentenal | BDBM50203069 | InChI=1/C5H8O/c1-2-3-4-5-6/h3-5

Specifiche e purezza

Moligand™, ≥95%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ACTIVATOR

Meccanismo d'azione

Activator of TRPA1

Purezza

≥95%(GC)

Nomi e identificatori

• Pubchem Sid: 504763740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763740
• Sorrisi canonici: CCC=CC=O
• IUPAC Name: (E)-pent-2-enal
• InChIKey: DTCCTIQRPGSLPT-ONEGZZNKSA-N
• INCHI: 1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
• Isomeri SMILES: CC/C=C/C=O
• WGK Germania: 3
• RTECS: SB1560000
• PubChem CID: 5364752
• Peso molecolare: 84.12
• Beilstein: 1719740
• Reaxy-Rn: 1719742

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated aldehydes
            • Level7 Enals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated aldehydes
• Direct Parent: Enals
• Alternative Parents: Short-chain aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enal - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aldehyde - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.
• External Descriptors: Not available

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

Obiettivi associati (umani)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (2 Activities)

Discover Target: TRPA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Obiettivi associati (non umani)

Salmonella typhimurium (15756 Activities)

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

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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Oryza sativa (2923 Activities)

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Bacillus cereus (7522 Activities)

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Brassica oleracea var. capitata (55 Activities)

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Myzus persicae (1112 Activities)

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Tetranychus urticae (2600 Activities)

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Lactuca sativa (1092 Activities)

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Phaseolus vulgaris (518 Activities)

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

Vitis vinifera (99 Activities)

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Brevicoryne brassicae (33 Activities)

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Frankliniella occidentalis (90 Activities)

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Malus domestica (19 Activities)

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Brassica oleracea var. italica (9 Activities)

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Pseudococcus affinis (11 Activities)

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

Citrus x paradisi (5 Activities)

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Pseudococcus viburni (11 Activities)

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Persea americana (5 Activities)

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Bemisia (11 Activities)

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Citrus limon (3 Activities)

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Citrus sinensis (3 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light Sensitive,Air Sensitive,Heat Sensitive
• Indice di rifrazione: 1.44
• Punto di infiammabilità (°F): 71.6 °F
• Punto di infiammabilità (°C): 22 °C
• Punto di ebollizione (°C): 81 °C/160 mmHg
• Peso molecolare: 84.120 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.0575 Da
• Monoisotopic Mass: 84.0575 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 55.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Yangyang Zhou, Chen Chen, Qiling Li, Yanbo Liu, Ting Wei, Youzhen Liu, Zebing Zeng, Darren Bradshaw, Bing Zhang, Jia Huo.  (2022)  Precise control of selective hydrogenation of α,β-unsaturated aldehydes in water mediated by ammonia borane.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2022.121348]

2. Yanxin Li, Chong Ma, Jinmao You, Shijuan Zhang.  (2022)  Stable isotope labeling method with sensitive identification and accurate quantitation function for aldehydes in fried foods.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107238]

3. Yuanyuan Huang, Yu Sun, Arshad Mehmood, Tingting Lu, Xiumin Chen.  (2024)  Unraveling the temporal changes of Maillard reaction products and aroma profile in coffee leaves during hot-air drying.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106055]

4. Xiaowei Peng, Chenhao Jiang, Xunyao Zhang, Huijing Chen, Jianquan kan.  (2025)  Quality deterioration of Huajiao (Zanthoxylum bungeanum) seed oil during autooxidation: non-targeted flavoromics and lipidomics analysis.  FOOD CHEMISTRY,      [PMID:40774215] [10.1016/j.foodchem.2025.145807]

5. Hao Zhang, Shu Wang, Shixiao Wei, Shangde Sun, Yanlan Bi, Mingfu Wang, Yueliang Zhao.  (2025)  Development, validation and application of an SFC-ESI-QqQ-MS/MS method for simultaneous analysis of malondialdehyde and typical α,β-unsaturated aldehydes in edible oils and oil-containing foods.  FOOD CHEMISTRY,      [PMID:41332026] [10.1016/j.foodchem.2025.146795]

Domande frequenti

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.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 1576-87-0, the molecular formula is C5H8O, and the molecular weight is 84.12 g/mol. InChIKey DTCCTIQRPGSLPT-ONEGZZNKSA-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.