Dioctanoylglycol - ≥97% , CAS No.627-86-1

CAS: 627-86-1 Cat. No.: D288807 Formule: C₁₈H₃₄O₄ Poids moléculaire: 314.46

GRADE & PURITY ≥97%

Synonyms

NSC 97300 | BDBM50529934 | ethane-1,2-diyl dioctanoate | NCGC00162390-01 | Octanoic acid, 1,2-ethanediyl ester | ethylene dicaprylate | CALCIUMDIPROPYLACETATEHYDRATE | dioctanoylglycol | HTNFLUQQANUSLR-UHFFFAOYSA-N | 1,2-Dioctanoylethylene glycol | 2-octa

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

NSC 97300 | BDBM50529934 | ethane-1,2-diyl dioctanoate | NCGC00162390-01 | Octanoic acid, 1,2-ethanediyl ester | ethylene dicaprylate | CALCIUMDIPROPYLACETATEHYDRATE | dioctanoylglycol | HTNFLUQQANUSLR-UHFFFAOYSA-N | 1,2-Dioctanoylethylene glycol | 2-octa

Spécifications et pureté

≥97%

Mécanismes biochimiques et physiologiques

Specific inhibitor of diacylglycerol kinase.

Conditions de stockage de stockage

Store at -20°C

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.

Type d'action

INHIBITOR

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504750635

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750635

Sourires canoniques

CCCCCCCC(=O)OCCOC(=O)CCCCCCC

IUPAC Name

2-octanoyloxyethyl octanoate

InChIKey

HTNFLUQQANUSLR-UHFFFAOYSA-N

INCHI

1S/C18H34O4/c1-3-5-7-9-11-13-17(19)21-15-16-22-18(20)14-12-10-8-6-4-2/h3-16H2,1-2H3

Isomères SMILES

CCCCCCCC(=O)OCCOC(=O)CCCCCCC

Poids moléculaire

314.46

Reaxy-Rn

1798422

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1798422&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

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 (non humaines)

Spodoptera litura (1708 Activities)

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

Helicoverpa armigera (708 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 31.44, Max Conc. mM: 100
• Poids moléculaire: 314.500 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 17
• Exact Mass: 314.246 Da
• Monoisotopic Mass: 314.246 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 248.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1