Tricaprylin - ≥93%(GC) , CAS No.538-23-8

CAS: 538-23-8 Cat. No.: T161985 分子式: C₂₇H₅₀O₆ 分子量: 470.69 Beilstein Registry Number: 1717200 EC番号: 208-686-5

GRADE & PURITY ≥93%(GC)

Synonyms

Glyceryl trioctanoate, >=99% | NCGC00091285-03 | T0365 | 3-(2-Chlorophenyl)-1-(3,4-dichlorophenyl)-1-hydroxyurea | Octanoic acid, 1,2,3-propanetriyl ester | TRICAPRILIN [WHO-DD] | Glycerol trioctanoin | HY-B1804 | NCGC00256431-01 | Rato | s6342 | Tricapry

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

同義語

Glyceryl trioctanoate, >=99% | NCGC00091285-03 | T0365 | 3-(2-Chlorophenyl)-1-(3,4-dichlorophenyl)-1-hydroxyurea | Octanoic acid, 1,2,3-propanetriyl ester | TRICAPRILIN [WHO-DD] | Glycerol trioctanoin | HY-B1804 | NCGC00256431-01 | Rato | s6342 | Tricapry

仕様と純度

≥93%(GC)

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥93%(GC)

名前と識別子

パブケム・シド

488181197

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181197

カノニカル・スマイル

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC

IUPAC Name

2,3-di(octanoyloxy)propyl octanoate

InChIKey

VLPFTAMPNXLGLX-UHFFFAOYSA-N

INCHI

1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3

異性体SMILES

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC

WGKドイツ

3

RTECS

YJ7700000

分子量

470.69

Beilstein

1717200

Reaxy-Rn

1717202

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1717202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Triacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
• External Descriptors: Triacylglycerols

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

関連ターゲット（人間）

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

関連ターゲット（非人間）

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 屈折率: 1.4470 - 1.4500
• 引火点（°C）: 225°C(lit.)
• 沸点（°C）: 234°C/1mmHg(lit.)
• 融点（°C）: 9.0-10.0℃
• 分子量: 470.700 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 26
• Exact Mass: 470.361 Da
• Monoisotopic Mass: 470.361 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 461.000
• 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