Monocaprylin(GMC) - ≥98% , CAS No.26402-26-6

CAS: 26402-26-6 Cat. No.: M158396 分子式: C₁₁H₂₂O₄ 分子量: 218.29 Beilstein Registry Number: 2(2)303 EC番号: 247-668-1

グレード＆純度 ≥98%

Synonyms

(+-)-1-octanoylglycerol | Poem M 100 | 1-Monocapryloyl-rac-glycerol | Caprylic acid monoglyceride | 1-Monooctanoylglycerol | GHBFNMLVSPCDGN-UHFFFAOYSA-N | MLS000028614 | Octanoic acid, 2,3-dihydroxypropyl ester, (A+/-)- | Tox21_112338_1 | (S)-3,3,3-TRIFLU

Storage

Room temperature

Shipped In

Normal

仕様

同義語

(+-)-1-octanoylglycerol | Poem M 100 | 1-Monocapryloyl-rac-glycerol | Caprylic acid monoglyceride | 1-Monooctanoylglycerol | GHBFNMLVSPCDGN-UHFFFAOYSA-N | MLS000028614 | Octanoic acid, 2,3-dihydroxypropyl ester, (A+/-)- | Tox21_112338_1 | (S)-3,3,3-TRIFLU

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

488194202

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488194202

カノニカル・スマイル

CCCCCCCC(=O)OCC(CO)O

IUPAC Name

2,3-dihydroxypropyl octanoate

InChIKey

GHBFNMLVSPCDGN-UHFFFAOYSA-N

INCHI

1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3

異性体SMILES

CCCCCCCC(=O)OCC(CO)O

分子量

218.29

Beilstein

2(2)303

Reaxy-Rn

1724525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Glycerolipids
      • Subclass Monoradylglycerols
        • Level5 Monoacylglycerols
          • Level6 1-monoacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Glycerolipids
• Subclass: Monoradylglycerols
• Intermediate Tree Nodes: Monoacylglycerols
• Direct Parent: 1-monoacylglycerols
• Alternative Parents: Fatty acid esters Secondary alcohols Carboxylic acid esters 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
• External Descriptors: octanoate ester - 1-monoglyceride

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

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 41 °C
• 分子量: 218.290 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 218.152 Da
• Monoisotopic Mass: 218.152 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 159.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 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.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 26402-26-6, the molecular formula is C11H22O4, and the molecular weight is 218.29 g/mol. InChIKey GHBFNMLVSPCDGN-UHFFFAOYSA-N.