trans-2-Dodecenal - ≥90%(GC) , CAS No.20407-84-5

CAS: 20407-84-5 Cat. No.: T162346 Fórmula: C₁₂H₂₂O Peso molecular: 182.31 Número CE: 243-797-2 PubChem CID: 5283361

GRADE & PURITY ≥90%(GC)

Synonyms

SCHEMBL29549 | FEMA 2402 | A936659 | Dodec-2-en-1-al | 2-Dodecen-1-al | LS-14136 | 2-Dodecenal,(2E)- | UNII-1D55O81P4E | eryngial | NSC 22287 | W-107623 | beta-Octyl acrolein | NSC-22287 | trans-2-Dodecen-1-al | 2-DODECENAL [FHFI] | 2-Dodecenal, (2E)- | F

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Visão geral

trans-2-Dodecenal is one of the volatile components of calamansi juice and coriander oil

Specifications

Sinónimos

SCHEMBL29549 | FEMA 2402 | A936659 | Dodec-2-en-1-al | 2-Dodecen-1-al | LS-14136 | 2-Dodecenal,(2E)- | UNII-1D55O81P4E | eryngial | NSC 22287 | W-107623 | beta-Octyl acrolein | NSC-22287 | trans-2-Dodecen-1-al | 2-DODECENAL [FHFI] | 2-Dodecenal, (2E)- | F

Especificações e pureza

≥90%(GC)

Condições de armazenamento de armazenamento

Protected from light,Argon charged,Room temperature

Enviado em

Normal

Pureza

≥90%(GC)

Nomes e identificadores

• Pubchem Sid: 528770544
• Sorrisos canónicos: CCCCCCCCCC=CC=O
• IUPAC Name: (E)-dodec-2-enal
• InChIKey: SSNZFFBDIMUILS-ZHACJKMWSA-N
• INCHI: 1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-12H,2-9H2,1H3/b11-10+
• SMILES isoméricas: CCCCCCCCC/C=C/C=O
• RTECS: JR5150000
• PubChem CID: 5283361
• Peso molecular: 182.31
• Reaxy-Rn: 2434537

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

Bursaphelenchus xylophilus (372 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: air sensitive ；light sensitive
• Índice de refração: 1.46
• Ponto de ebulição (°C): 132 °C/12 mmHg
• Peso molecular: 182.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 182.167 Da
• Monoisotopic Mass: 182.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 127.000
• 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

Referências

1. Longzhu Zhou, Yimeng Ren, Yujie Shi, Shijie Fan, Liyuan Zhao, Miaomiao Dong, Jing Li, Youyou Yang, Yanan Yu, Qingyu Zhao, Junmin Zhang, Chaohua Tang.  (2024)  Comprehensive foodomics analysis reveals key lipids affect aroma generation in beef.  FOOD CHEMISTRY,      [PMID:39186890] [10.1016/j.foodchem.2024.140954]

2. Zhenjing Jiang, Wuyu Wang, Xuelai Zhao, Xinghua Zhang, Qi Zhang, Longlong Ma.  (2024)  Synthesis of ultra-low freezing point alkane by self-aldol condensation of n-butyraldehyde over MgO-SiO2 catalyst followed by hydrodeoxygenation over Pd/C and HZSM-5 catalyst.  BIOMASS & BIOENERGY,      [PMID:] [10.1016/j.biombioe.2024.107380]

3. Xiaolei Li, Wanxin Wang, Yujia Li, Fumin Ma, Cuicui Duan, Dan Li.  (2026)  Deciphering flavor profile and metabolic pathways in black chokeberry Co-fermented by Lactiplantibacillus plantarum and Hansenula sp. via integrated volatilomics and metabolomics.  FOOD RESEARCH INTERNATIONAL,      [PMID:41763756] [10.1016/j.foodres.2026.118371]