18-Pentatriacontanone

Base Information

• Chemical Name: 18-Pentatriacontanone
• CAS No.: 504-53-0
• Molecular Formula: C35H70 O
• Molecular Weight: 506.94
• Hs Code.: 2914190090
• European Community (EC) Number: 207-993-1
• NSC Number: 83612
• UNII: 7IN8GA6M68
• DSSTox Substance ID: DTXSID2060125
• Nikkaji Number: J6.218I
• Wikidata: Q27268356
• Mol file: 504-53-0.mol

Synonyms:18-PENTATRIACONTANONE;504-53-0;pentatriacontan-18-one;Stearone;Heptadecyl ketone;Diheptadecyl ketone;Di-n-heptadecyl ketone;UNII-7IN8GA6M68;7IN8GA6M68;EINECS 207-993-1;NSC 83612;NSC-83612;AI3-15184;MFCD00048491;stearon;Stearyl ketone;Di-stearyl ketone;C35H70O;STEARONE [INCI];Pentatriacontan- 18- one;SCHEMBL29091;DTXSID2060125;NSC83612;C35-H70-O;AKOS015913448;CS-0327134;FT-0632242;P1290;D92101;Q27268356

Chemical Property of 18-Pentatriacontanone

Chemical Property:

• Vapor Pressure: 7.84E-12mmHg at 25°C
• Melting Point: 86-87°C
• Refractive Index: 1.5017 (estimate)
• Boiling Point: 345 °C / 12mmHg
• Flash Point: 11.4°C
• PSA: 17.07000
• Density: 0.84g/cm³
• LogP: 13.07850
• Storage Temp.: Refrigerator
• Solubility.: Soluble in benzene
• Water Solubility.: 20μg/L at 20℃
• XLogP3: 16.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 32
• Exact Mass: 506.54266685
• Heavy Atom Count: 36
• Complexity: 365

Purity/Quality:

99.9% ^*data from raw suppliers

18-Pentatriacontanone 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC
• Uses: Antiblocking agent. 18-Pentatriacontanone is used as ant blocking agent. It is also used as pharmaceutical intermediate and chemical research.

Technology Process of 18-Pentatriacontanone

There total 38 articles about 18-Pentatriacontanone 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: 98.0%

2-hexadecyl-3-oxo-eicosanoic acid methyl ester (10126-69-9) → di-n-heptadecyl ketone (504-53-0)

Guidance literature:

With sodio-propane-1,2-diol in anhydrous propane-1,2-diol; at 80 - 85 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)86215-2

Reference yield: 86.9%

Kortacid 1895 → di-n-heptadecyl ketone (504-53-0)

Guidance literature:

hydrotalcite, MgO/Al₂O₃ ratio of 3.7; at 384 ℃; Gas phase;

Reference yield: 62.0%

3-(1-heptadecyloctadecyloxy)-1,2-propanediol → di-n-heptadecyl ketone (504-53-0)

Guidance literature:

In methanol; hexane; chloroform;

upstream raw materials:

1-octadecanol

2-hexadecyl-3-oxo-eicosanoic acid amide

2-hexadecyl-3-oxo-eicosanoic acid ethyl ester

sodium stearate

Downstream raw materials:

18-hydroxy-18-phenyl-pentatriacontane

18-Hydroxypentatriacontane

Stearon-<2.4-dinitro-phenylhydrazon>

1-tetradecene