trans-2-Dodecenoic Acid - ≥98% , CAS No.32466-54-9

CAS: 32466-54-9 Cat. No.: D303442 Fórmula: C₁₂H₂₂O₂ Peso molecular: 198.31 Número CE: 836-106-6

GRADE & PURITY ≥98%

Synonyms

TRANS-2-DODECENOICACID | 2-Dodecensaeure | 2E-Lauroleic acid | Dodec-2-ensaeure | trans-dodec-2-enoic acid | PAWGRNGPMLVJQH-ZHACJKMWSA-N | WS-00320 | (E)-dodec-2-enoic acid | EN300-365600 | trans-2-Dodecenoic acid | EN300-65552 | NSC 59856 | 2-Dodecenoic

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

TRANS-2-DODECENOICACID | 2-Dodecensaeure | 2E-Lauroleic acid | Dodec-2-ensaeure | trans-dodec-2-enoic acid | PAWGRNGPMLVJQH-ZHACJKMWSA-N | WS-00320 | (E)-dodec-2-enoic acid | EN300-365600 | trans-2-Dodecenoic acid | EN300-65552 | NSC 59856 | 2-Dodecenoic

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504763448
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763448
• Sorrisos canónicos: CCCCCCCCCC=CC(=O)O
• IUPAC Name: (E)-dodec-2-enoic acid
• InChIKey: PAWGRNGPMLVJQH-ZHACJKMWSA-N
• INCHI: 1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
• SMILES isoméricas: CCCCCCCCC/C=C/C(=O)O
• Peso molecular: 198.31
• Reaxy-Rn: 29734766
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29734766&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Unsaturated fatty acids

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 (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Alvos associados (não humanos)

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°C): 217 °C
• Ponto de ebulição (°C): 146 °C
• Ponto de fusão (°C): 23 °C
• Peso molecular: 198.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 198.162 Da
• Monoisotopic Mass: 198.162 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 162.000
• 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