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

CAS: 538-23-8 Cat. No.: T161985 분자식: C₂₇H₅₀O₆ 분자량: 470.69 Beilstein Registry Number: 1717200 EC 번호: 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

동의어

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

사양 및 순도

≥93%(GC)

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥93%(GC)

이름과 식별자

Pubchem Sid

488181197

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

YJ7700000

분자량

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
    • 분류 Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water
• 굴절률: 1.4470 - 1.4500
• 발화점(°C): 225°C(lit.)
• 끓는점(°C): 234°C/1mmHg(lit.)
• 녹는점(°C): 9.0-10.0℃
• 분자량: 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