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

CAS: 1576-87-0 Cat. No.: T161487 Molecular Weight: 84.12 Beilstein Registry Number: 1719740 EC Number: 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

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

Specifications & Purity

Moligand™, ≥95%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ACTIVATOR

Mechanism of action

Activator of TRPA1

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504763740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763740
• Canonical Smiles: 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+
• Isomeric SMILES: CC/C=C/C=O
• WGK Germany: 3
• RTECS: SB1560000
• PubChem CID: 5364752
• Molecular Weight: 84.12
• Beilstein: 1719740
• Reaxy-Rn: 1719742

Taxonomic Classification

Taxonomy Tree

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

Associated Targets(Human)

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)

Associated Targets(non-human)

Salmonella typhimurium (15756 Activities)

Explore this target

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

Vibrio parahaemolyticus (473 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Listeria monocytogenes (2626 Activities)

Explore this target

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

Oryza sativa (2923 Activities)

Explore this target

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

Bacillus cereus (7522 Activities)

Explore this target

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

Brassica oleracea var. capitata (55 Activities)

Explore this target

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

Myzus persicae (1112 Activities)

Explore this target

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

Tetranychus urticae (2600 Activities)

Explore this target

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

Lactuca sativa (1092 Activities)

Explore this target

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)

Explore this target

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

Vitis vinifera (99 Activities)

Explore this target

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

Brevicoryne brassicae (33 Activities)

Explore this target

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

Frankliniella occidentalis (90 Activities)

Explore this target

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

Malus domestica (19 Activities)

Explore this target

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

Brassica oleracea var. italica (9 Activities)

Explore this target

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

Pseudococcus affinis (11 Activities)

Explore this target

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

Citrus x paradisi (5 Activities)

Explore this target

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

Pseudococcus viburni (11 Activities)

Explore this target

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

Persea americana (5 Activities)

Explore this target

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

Bemisia (11 Activities)

Explore this target

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

Citrus limon (3 Activities)

Explore this target

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

Citrus sinensis (3 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Refractive Index: 1.44
• Flash Point(°F): 71.6 °F
• Flash Point(°C): 22 °C
• Boil Point(°C): 81 °C/160 mmHg
• Molecular Weight: 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

References

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]