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

CAS: 32466-54-9 Cat. No.: D303442 Formula: C₁₂H₂₂O₂ Peso molecolare: 198.31 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504763448
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763448
• Sorrisi canonici: 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+
• Isomeri SMILES: CCCCCCCCC/C=C/C(=O)O
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Obiettivi associati (non umani)

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 217 °C
• Punto di ebollizione (°C): 146 °C
• Punto di fusione (°C): 23 °C
• Peso molecolare: 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