trans-2-Decenoic Acid - ≥95% , CAS No.334-49-6

CAS: 334-49-6 Cat. No.: D303461 Formule: C₁₀H₁₈O₂ Poids moléculaire: 170.25 Numéro CE: 206-378-5

GRADE & PURITY ≥95%

Synonyms

(Z)-2-decanoic acid | 10:1, n-8 trans | trans-2-Decenoic Acid | LMFA01030029 | (E)-2-DECENOIC ACID [FHFI] | AKOS004908023 | CHEBI:50467 | J-009460 | (2E)-2-Decenoic acid | Dec-2-en-saeure | DTXSID20904657 | E-2-Decenoic acid | Decenoic acid | 2-Decenoic a

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

(Z)-2-decanoic acid | 10:1, n-8 trans | trans-2-Decenoic Acid | LMFA01030029 | (E)-2-DECENOIC ACID [FHFI] | AKOS004908023 | CHEBI:50467 | J-009460 | (2E)-2-Decenoic acid | Dec-2-en-saeure | DTXSID20904657 | E-2-Decenoic acid | Decenoic acid | 2-Decenoic a

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504763446
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763446
• Sourires canoniques: CCCCCCCC=CC(=O)O
• IUPAC Name: (E)-dec-2-enoic acid
• InChIKey: WXBXVVIUZANZAU-CMDGGOBGSA-N
• INCHI: 1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
• Isomères SMILES: CCCCCCC/C=C/C(=O)O
• Poids moléculaire: 170.25
• Reaxy-Rn: 1754370
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754370&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
• Description: 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

Cibles associées (humaines)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Cibles associées (non humaines)

Echinochloa crus-galli (3685 Activities)

Explore this target

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: insoluble in H2O; ≥161.4 mg/mL in EtOH; ≥8.8 mg/mL in DMSO
• Sensibilité: Light Sensitive,Air Sensitive
• Indice de réfraction: 1.46
• Point d'éclair (°C): 170 °C
• Point d'ébullition (°C): 121 °C/0.2 mmHg
• Poids moléculaire: 170.250 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 139.000
• 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