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

CAS: 538-23-8 Cat. No.: T161985 Molecular Weight: 470.69 Beilstein Registry Number: 1717200 EC Number: 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

Shipped In

Normal

Specifications

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

Specifications & Purity

≥93%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥93%(GC)

Names and Identifiers

• Pubchem Sid: 488181197
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181197
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
• WGK Germany: 3
• RTECS: YJ7700000
• Molecular Weight: 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
    • Class Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water
• Refractive Index: 1.4470 - 1.4500
• Flash Point(°C): 225°C(lit.)
• Boil Point(°C): 234°C/1mmHg(lit.)
• Melt Point(°C): 9.0-10.0℃
• Molecular Weight: 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

References

1. Fei Zhang, Zhe Li, Yaoming Liu, Binsheng Yang, Hui Qiao, Jie Chai, Guangming Wen, Bin Liu.  (2020)  Rational construction of AIEgens with wide color tunability and their specific lipid droplet imaging applications.  Journal of Materials Chemistry B,  8  (41): (9533-9543).  [PMID:33000854] [10.1039/D0TB01806F]

2. Qinzhou Cai, Huifang Zhang, Bingshan Zhao, Lei Ren, Yonghua Wang, Fanghua Wang.  (2024)  A cold-adapted and robust alkaline lipase from Marinobacter nanhaiticus boosts laundry detergent performance.  JOURNAL OF SURFACTANTS AND DETERGENTS,      [PMID:] [10.1002/jsde.12793]

3. Wan Chuchu, He Si, Cheng Quanyong, Du Kehan, Song Yuhang, Yu Xiang, Jiang Hao, Huang Caili, Xu Jiangping, Ma Cong, Zhu Jintao.  (2024)  Bridged emulsion gels from polymer–nanoparticle enabling large-amount biomedical encapsulation and functionalization.  Nature Communications,  15  (1): (1-12).  [PMID:39737995] [10.1038/s41467-024-55099-9]

4. Bowen Yang, Cheng Chen, Weisu Huang, Tian Zhao, Shengyang Ji, Yan Liu, Baiyi Lu.  (2024)  Encapsulation of antioxidants with colloidal lipid particles for enhancing the photooxidation stability of phytosterol in Pickering emulsions.  FOOD CHEMISTRY,      [PMID:38744126] [10.1016/j.foodchem.2024.139474]

5. Lilang Li, Kuntai Li, Ruiguo Cui, Fengjun Li, Jianrong Wang.  (2024)  Engineered lipase from Thermomyces dupontii with improved thermostability for preparation of long-medium-long structured lipids.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.116948]

6. Bowen Yang, Tian Zhao, Shengyang Ji, Yan Liu, Minghao Xu, Baiyi Lu.  (2024)  Molecular dynamics simulations of the interfacial behaviors and photo-oxidation of phytosterol under different emulsion oil content.  FOOD CHEMISTRY,      [PMID:38663239] [10.1016/j.foodchem.2024.139292]

7. Min He, Yidong Bin, Lixian Huang, Caiying Li, Yuzhen Ma, Yan-Ni Luo, Shulin Zhao, Jinzhe Liang.  (2025)  Novel zinc(II) phthalocyanine nanoparticles as diagnosis-treatment nanoprobe for photoacoustic imaging-guided synergistic photothermal/photodynamic-enhanced cancer therapy.  Inorganic Chemistry Frontiers,      [PMID:] [10.1039/D4QI02898H]

8. Lingsu Zhang, Liwei Qi, Weifu Dong, Tatsuo Kaneko, Hongji Zhang, Mingqing Chen, Dongjian Shi.  (2025)  Structural regulation and enhanced sunscreen performances of functional shellac nanoparticles.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.136305]

9. Dina Chang, Lixia Ma, Yan Yan, Anxu Zheng, Xuehang Wang, Yue Leng, Bin Jiang, Dayong Ren, Lixin You, Ji Wang.  (2026)  Covalently cross-linked walnut protein-proanthocyanidin composite nanoparticles: Preparation, characterization, and Pickering emulsifying properties.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2026.148775]