Glycerol tripalmitate - ≥98% , CAS No.555-44-2

CAS: 555-44-2 Cat. No.: G104094 Molecular Weight: 807.32 Beilstein Registry Number: 1811188 EC Number: 209-098-1

GRADE & PURITY ≥98%

Synonyms

1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate | CAS-555-44-2 | Triglyceryl palmitate | MFCD00008995 | T3096 | Tripalmitoyl glycerol | glycero-tripalmitate | HY-W013061 | SR-01000944841 | AKOS015899780 | SCHEMBL24941 | Speziafett 116 | 1,2,3-trihexadec

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1, 3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate | CAS-555-44-2 | Triglyceryl palmitate | MFCD00008995 | T3096 | Tripalmitoyl glycerol | glycero-tripalmitate | HY-W013061 | SR-01000944841 | AKOS015899780 | SCHEMBL24941 | Speziafett 116 | 1, 2, 3-trihexadec

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Tripalmitin is a simple saturated glyceride. It is mainly found in palm and coconut oil in solid form. It accounts for 1-11% of palm oil and has a high melting point.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
• IUPAC Name: 2,3-di(hexadecanoyloxy)propyl hexadecanoate
• InChIKey: PVNIQBQSYATKKL-UHFFFAOYSA-N
• INCHI: 1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
• WGK Germany: 3
• RTECS: RT4953500
• Molecular Weight: 807.32
• Beilstein: 1811188
• Reaxy-Rn: 1811188
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1811188&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: a triacylglycerol

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(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Refractive Index: 1.43807
• Boil Point(°C): 310-320°C
• Melt Point(°C): 66°C
• Molecular Weight: 807.300 g/mol
• XLogP3: 21.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 50
• Exact Mass: 806.736 Da
• Monoisotopic Mass: 806.736 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 798.000
• 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

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