Cholesterol, acetate

Base Information

• Chemical Name: Cholesterol, acetate
• CAS No.: 604-35-3
• Molecular Formula: C29H48O2
• Molecular Weight: 428.699
• Mol file: 604-35-3.mol

Synonyms:Cholesterol, acetate;Cholest-5-en-3-ol (3.beta.)-, acetate;3.beta.-Acetoxycholest-5-ene;Cholest-5-en-3.beta.-ol acetate;Cholest-5-en-3.beta.-yl acetate;NSC 8799;5-Cholesten-3-beta-ol, acetate;5-Cholesten-3.beta.-ol acetate;XUGISPSHIFXEHZ-MFAYAQHLSA-N;[(3S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;Cholest-5-en-3-yl acetate, (3.beta.)-

Chemical Property of Cholesterol, acetate

Chemical Property:

• Appearance/Colour: white fine crystalline powder or needles
• Vapor Pressure: 7.13E-10mmHg at 25°C
• Melting Point: 112-114 °C(lit.)
• Refractive Index: 1.515
• Boiling Point: 493.3 °C at 760 mmHg
• Flash Point: 248.8 °C
• PSA: 26.30000
• Density: 0.99 g/cm³
• LogP: 7.95950
• Storage Temp.: -20°C
• Solubility.: insoluble
• Water Solubility.: insoluble
• XLogP3: 9.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 428.365430770
• Heavy Atom Count: 31
• Complexity: 693

Purity/Quality:

99% ^*data from raw suppliers

Cholesterol3-Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
• Isomeric SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CC[C@@H](C4)OC(=O)C)C)C
• Uses: Cholesterol (C432501) derivative. Cholesterol is a major component of all biological membranes; ~25% of total brain lipid is Cholesterol. Cholesterol is the principal sterol of the higher animals. Cho lesterol 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. Cholesteryl acetate is used in cosmetics, wrist watches, thermometers, propane tank volume indicators, video displays, pharmaceuticals.

Technology Process of Cholesterol, acetate

There total 140 articles about Cholesterol, acetate 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: 100.0%

cholesterol (57-88-5) + acetic anhydride (108-24-7) → Cholesteryl acetate (604-35-3)

Guidance literature:

With iodine; for 0.166667h; Ambient temperature;

DOI:10.1039/a605061a

Reference yield: 100.0%

di-(p-methoxyphenyl)tellurium oxide (57857-70-2) + cholester-3β-yl thioacetate (57701-06-1) → Cholesteryl acetate (604-35-3)

Guidance literature:

Reference yield: 99.6%

cholesta-5,22-dien-3β-ol acetate → Cholesteryl acetate (604-35-3)

Guidance literature:

With formic acid; palladium on activated charcoal; ammonium formate; In methanol; Inert atmosphere; Reflux; Large scale;

upstream raw materials:

cholesterol

5α-cholestane-3β,6β-diol 3-monoacetate

potassium acetate

silver(I) acetate

Downstream raw materials:

cholesteryl 5,8,11,14-eicosatetraenoate

2-methyl-1,4-naphthohydroquinone

7-Dehydrocholesteryl acetate

7-ketocholesteryl acetate

Refernces

• 1、 Yu, Yun-Long,Du, Hai-Yan,Zhang, Jun-Hua. "Self-assembly of novel cholesterol derivative based on hydrogen bond". . p. 107 - 112. Retrieved 2011.
• 2、 Ahmad, Shabbir,Ahmed, Musheer,Alam, Mohammad Jane,Amer, Bushra,Mashrai, Ashraf. "3β-Acetoxy cholest-5-ene crystals: Catalytic synthesis, structural elucidation, contribution of intermolecular interactions and density functional theory calculations". . . Retrieved 2020.
• 3、 Ehret,A.,Winstein,S.. "-". . p. 2048 - 2049. Retrieved 1966.
• 4、 -. "Novel industrial method for preparing vitamin D3 by taking stigmasterol as raw material". Paragraph 0010; 0044; 0045. . Retrieved 2021/05/05.