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

CAS: 1576-87-0 Cat. No.: T161487 Peso molecular: 84.12 Beilstein Registry Number: 1719740 Número 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

Sinónimos

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

Especificaciones y pureza

Moligand™, ≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ACTIVATOR

Mecanismo de acción

Activator of TRPA1

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 504763740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763740
• Sonrisas canónicas: 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+
• Isómeros SMILES: CC/C=C/C=O
• WGK Alemania: 3
• RTECS: SB1560000
• PubChem CID: 5364752
• Peso molecular: 84.12
• Beilstein: 1719740
• Reaxy-Rn: 1719742

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase 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
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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)

Objetivos asociados (no humanos)

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

Staphylococcus aureus (210822 Activities)

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

Escherichia coli (133304 Activities)

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

Listeria monocytogenes (2626 Activities)

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

Oryza sativa (2923 Activities)

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

Bacillus cereus (7522 Activities)

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

Brassica oleracea var. capitata (55 Activities)

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

Myzus persicae (1112 Activities)

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

Tetranychus urticae (2600 Activities)

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

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

Brevicoryne brassicae (33 Activities)

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

Frankliniella occidentalis (90 Activities)

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

Malus domestica (19 Activities)

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

Brassica oleracea var. italica (9 Activities)

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

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

Pseudococcus viburni (11 Activities)

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

Persea americana (5 Activities)

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

Bemisia (11 Activities)

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

Citrus limon (3 Activities)

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

Citrus sinensis (3 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive,Heat Sensitive
• Índice de refracción: 1.44
• Punto de inflamación (°F): 71.6 °F
• Punto de inflamación (°C): 22 °C
• Punto de ebullición (°C): 81 °C/160 mmHg
• Peso molecular: 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

Referencias

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]