trans-2-Undecenal - ≥93%(GC), stabilized with 0.5% Tocopherol , CAS No.53448-07-0

CAS: 53448-07-0 Cat. No.: T162343 Molecular Weight: 168.28 EC Number: 258-559-3 PubChem CID: 5283356

GRADE & PURITY ≥93%(GC), stabilized with 0.5% Tocopherol

Synonyms

FEMA No. 3423 | Q27278090 | UNII-090E982ABR | 2-Undecenal (High trans) stabilized with alpha-tocopherol | LS-14008 | trans-2-Undecenal, >=95%, FG | 2-Undecenal, (2E)- | FEMA NO. 3423, E- | trans-undec-2-enal | Undec-2(E)-enal | 2-Undecenal, trans | Undece

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

trans-2-undecenal is mainly formed due to the oxidation of triolein while heating.It occurs naturally in coriander, fresh red pepper and watermelon.

Specifications

Synonyms

FEMA No. 3423 | Q27278090 | UNII-090E982ABR | 2-Undecenal (High trans) stabilized with alpha-tocopherol | LS-14008 | trans-2-Undecenal, >=95%, FG | 2-Undecenal, (2E)- | FEMA NO. 3423, E- | trans-undec-2-enal | Undec-2(E)-enal | 2-Undecenal, trans | Undece

Specifications & Purity

≥93%(GC), stabilized with 0.5% Tocopherol

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥93%(GC)

Names and Identifiers

• Pubchem Sid: 504763461
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763461
• Canonical Smiles: CCCCCCCCC=CC=O
• IUPAC Name: (E)-undec-2-enal
• InChIKey: PANBRUWVURLWGY-MDZDMXLPSA-N
• INCHI: 1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
• Isomeric SMILES: CCCCCCCC/C=C/C=O
• PubChem CID: 5283356
• Molecular Weight: 168.28
• Reaxy-Rn: 1906352

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(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Proteus vulgaris (5823 Activities)

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Staphylococcus aureus (210822 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus mutans (2687 Activities)

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Bacillus subtilis (32866 Activities)

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Cyberlindnera jadinii (900 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Corynebacterium ammoniagenes (75 Activities)

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Cutibacterium acnes (887 Activities)

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Penicillium chrysogenum (1593 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Malassezia (23 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Meloidogyne javanica (98 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Refractive Index: n20/D 1.457
• Flash Point(°C): 120 °C
• Boil Point(°C): 115 °C/10 mmHg
• Molecular Weight: 168.280 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 168.151 Da
• Monoisotopic Mass: 168.151 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 116.000
• 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. 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]

2. Yimeng Ren, Longzhu Zhou, Chaohua Tang, Jing Li, Yujie Shi, Qingyu Zhao, Junmin Zhang, Yueyu Bai.  (2025)  Characterization of lipid distribution and volatile profile in high-marbling beef of Jiaxian Red cattle.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107374]

3. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]

4. Xiaoying Li, Gang Li, Haijing Wang, Chunsheng Liu, Chunrui Rong, Fuhang Song, Caixia Chen, Junkai Wu.  (2025)  Characterization of volatile flavor profiles in three peach cultivars during postharvest storage at various temperatures using HS-SPME-GC–MS.  Food Chemistry-X,      [PMID:40497035] [10.1016/j.fochx.2025.102554]

5. Hong Pan, Qi Luo, Qiuyi Jing, Lin Chen, Ni Li, Chao Fang, Fuguo Shi.  (2025)  Multiple endogenous aldehydes amplify acetaminophen-induced liver injury.  CHEMICO-BIOLOGICAL INTERACTIONS,      [PMID:40562332] [10.1016/j.cbi.2025.111619]