Tricaprin - ≥95% , CAS No.621-71-6

CAS: 621-71-6 Cat. No.: T161979 分子式: C₃₃H₆₂O₆ 分子量: 554.85 EC番号: 210-702-0 PubChem CID: 69310

GRADE & PURITY ≥95%

Synonyms

propane-1,2,3-triyl tris(decanoate) | Tridecanoin;Glycerol tricaprate | Glycerin tridecanoate | TRICAPRIN [INCI] | 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontan-1-ol,32-(4-(1,1,3,- 3-tetramethylbutyl)phenoxy)- | AKOS015899809 | Capric triglyceride | Deca

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

228,229

Specifications

同義語

propane-1,2,3-triyl tris(decanoate) | Tridecanoin;Glycerol tricaprate | Glycerin tridecanoate | TRICAPRIN [INCI] | 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontan-1-ol,32-(4-(1,1,3,- 3-tetramethylbutyl)phenoxy)- | AKOS015899809 | Capric triglyceride | Deca

仕様と純度

≥95%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

504754364

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504754364

カノニカル・スマイル

CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

IUPAC Name

2,3-di(decanoyloxy)propyl decanoate

InChIKey

LADGBHLMCUINGV-UHFFFAOYSA-N

INCHI

1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3

異性体SMILES

CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

WGKドイツ

1

RTECS

HE0100000

PubChem CID

69310

分子量

554.85

Reaxy-Rn

1717683

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

化学的性質と物理的性質

• 溶解度: Soluble in Alcohol,Benzene,Ether
• 感度: heat sensitive
• 沸点（°C）: 254 °C/5 mmHg
• 融点（°C）: 32 °C
• 分子量: 554.800 g/mol
• XLogP3: 12.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 32
• Exact Mass: 554.455 Da
• Monoisotopic Mass: 554.455 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 543.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 621-71-6, the molecular formula is C33H62O6, and the molecular weight is 554.85 g/mol. InChIKey LADGBHLMCUINGV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.