Cholesteryl heptanoate

Base Information

• Chemical Name: Cholesteryl heptanoate
• CAS No.: 1182-07-6
• Molecular Formula: C34H58 O2
• Molecular Weight: 498.833
• Hs Code.: 29159000
• European Community (EC) Number: 214-654-1
• DSSTox Substance ID: DTXSID30922625
• Nikkaji Number: J203.437I
• Mol file: 1182-07-6.mol

Synonyms:Cholesteryl heptanoate;1182-07-6;Cholesterol Heptanoate;Cholesterol Enanthate;Cholesteryl Heptanoate (Enanthate);[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptanoate;Cholest-5-ene-3-beta-yl heptanoate;EINECS 214-654-1;Cholest-5-en-3-ol (3.beta.)-, heptanoate;Cholesteryl enanthate;cholesteryl heptylate;cholest-5-en-3-yl heptanoate;cholesteryl n-heptylate;cholesterol n-heptanoate;Cholesteryl normal-heptylate;CHOLESTERYL HEPTONATE;SCHEMBL162885;Enanthic Acid Cholesterol Ester;Heptanoic Acid Cholesterol Ester;DTXSID30922625;3.beta.-Heptanoyloxycholest-5-ene;MFCD00003641;AKOS024307556;HY-W127348;(3I(2))-cholest-5-en-3-yl heptanoate;AS-57758;CHOLEST-5-EN-3-BETA-YL HEPTANOATE;CS-0185586;D95351;A893197;(3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl heptanoate

Chemical Property of Cholesteryl heptanoate

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Vapor Pressure: 2.71E-12mmHg at 25°C
• Melting Point: 113 °C
• Refractive Index: 1.5250 (estimate)
• Boiling Point: 553.5°Cat760mmHg
• Flash Point: 286.5°C
• PSA: 26.30000
• Density: 0.97g/cm³
• LogP: 9.91000
• XLogP3: 11.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 498.44368109
• Heavy Atom Count: 36
• Complexity: 767

Purity/Quality:

98% ^*data from raw suppliers

CholesterylHeptanoate(Enanthate) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• Isomeric SMILES: CCCCCCC(=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

Technology Process of Cholesteryl heptanoate

There total 4 articles about Cholesteryl heptanoate 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:

cholesterol (57-88-5) + Heptanoic acid chloride (2528-61-2) → cholesterol heptanoate (1182-07-6)

Guidance literature:

With pyridine; benzene;

DOI:10.1021/ja01129a027

Reference yield:

oenanthic acid (111-14-8) + cholesterol (57-88-5) → cholesterol heptanoate (1182-07-6)

Guidance literature:

Reference yield:

→ n-Heptansaeure-cholesteryl-ester (1182-07-6,137036-82-9)

Guidance literature:

Saeure, Alk.;

upstream raw materials:

oenanthic acid

cholesterol

Heptanoic acid chloride