Tricaproin - ≥95% , CAS No.621-70-5

CAS: 621-70-5 Cat. No.: T161980 Fórmula: C₂₁H₃₈O₆ Peso molecular: 386.53 Beilstein Registry Number: 1806730 Número EC: 210-701-5 PubChem CID: 12131

GRADE & PURITY ≥95%

Synonyms

Trihexanoin | Glycerol trihexanoate | 1,2,3-Tricaproylglycerol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Tricaproin is an organic compound belonging to the triacylglycerol class. It consists of three hexanoates esterified onto the glycerol backbone and has a mild, fatty odor. Tricaproin has various applications in the cosmetics and personal care industries, particularly as an emollient and conditioning agent in skin and hair care products. Additionally, it is used as a lubricant and surfactant in industrial settings.

Specifications

Sinónimos

Trihexanoin | Glycerol trihexanoate | 1,2,3-Tricaproylglycerol

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

488181558

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181558

Sonrisas canónicas

CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC

IUPAC Name

2,3-di(hexanoyloxy)propyl hexanoate

InChIKey

MAYCICSNZYXLHB-UHFFFAOYSA-N

INCHI

1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3

Isómeros SMILES

CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC

WGK Alemania

1

RTECS

MB2700000

PubChem CID

12131

Peso molecular

386.53

Beilstein

1806730

Reaxy-Rn

1806732

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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: triglyceride

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

Propiedades químicas y físicas

• Índice de refracción: 1.44
• Punto de ebullición (°C): 244°C/28mmHg(lit.)
• Peso molecular: 386.500 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 20
• Exact Mass: 386.267 Da
• Monoisotopic Mass: 386.267 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 381.000
• 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