Cholesteryl octanoate

Base Information

• Chemical Name: Cholesteryl octanoate
• CAS No.: 1182-42-9
• Molecular Formula: C35H60O2
• Molecular Weight: 512.86
• Hs Code.: 2915900000
• European Community (EC) Number: 214-656-2
• UNII: X9U26HA4Z2
• DSSTox Substance ID: DTXSID00152038
• Nikkaji Number: J203.438G
• Wikidata: Q72460693
• Mol file: 1182-42-9.mol

Synonyms:cholesterol octanoate;cholesteryl caprylate;cholesteryl octanoate;cholesteryl octanoate, 13C-labeled;cholesteryl octanoate, 14C-labeled

Chemical Property of Cholesteryl octanoate

Chemical Property:

• Appearance/Colour: White powder.
• Vapor Pressure: 8.69E-13mmHg at 25°C
• Melting Point: 110 ºC
• Refractive Index: 1.51
• Boiling Point: 565 °C at 760 mmHg
• Flash Point: 293.7 °C
• PSA: 26.30000
• Density: 0.97 g/cm³
• LogP: 10.30010
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 12.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 512.45933115
• Heavy Atom Count: 37
• Complexity: 782

Purity/Quality:

98%,99%, ^*data from raw suppliers

CholesterolCaprylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Biochemical Research
• Canonical SMILES: CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• Isomeric SMILES: CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
• Uses: Cholesterol Caprylate is a Cholesterol (C432501) derivative. Cholesterol (C432501) is a major component of all biological membranes; ~25% of total brain lipid is Cholesterol. Cholesterol is the principal sterol of the higher animals. Cholesterol was found in all body tissues, especial in the brain, spinal cord, and in animal fats or oils. Cholesterol is the main constituent of gallstones.

Technology Process of Cholesteryl octanoate

There total 4 articles about Cholesteryl octanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

Octanoic acid (124-07-2) + cholesterol (57-88-5) → cholesterol octanoate (1182-42-9)

Guidance literature:

With iron(III) chloride hexahydrate; In 1,3,5-trimethyl-benzene; for 24h; Reflux;

DOI:10.1055/s-0028-1083175

Reference yield:

cholesterol (57-88-5) + n-octanoic acid chloride (111-64-8) → cholesterol octanoate (1182-42-9)

Guidance literature:

at 100 ℃;

Reference yield:

Octanoic acid (124-07-2) + cholesterol (57-88-5) → cholesterol octanoate (1182-42-9)

Guidance literature:

Erhitzen unter Entfernen des entstehenden Wassers;

upstream raw materials:

Octanoic acid

cholesterol

n-octanoic acid chloride

cholesterol

Refernces

• 1、 Oda, Shinobu,Ohta, Hiromichi. "Microbial Transformation on Interface between Hydrophilic Carriers and Hydrophobic Organic Solvents". . p. 2041 - 2045. Retrieved 2007/10/02.