Pentaerythritol monobehenate

Base Information

Chemical Name:Pentaerythritol monobehenate
CAS No.:53161-46-9
Molecular Formula:C₂₇H₅₄O₅
Molecular Weight:458.723
Hs Code.:
European Community (EC) Number:258-401-3
UNII:HN66T7Z22J
DSSTox Substance ID:DTXSID10886039
Nikkaji Number:J122.523E
Wikidata:Q27280012
Mol file:53161-46-9.mol

Synonyms:Pentaerythritol monobehenate;pentaerythritol behenate;53161-46-9;EINECS 258-401-3;pentaerythrityl monobehenate;UNII-HN66T7Z22J;HN66T7Z22J;Docosanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester;3-Hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate;SCHEMBL217209;DTXSID10886039;Docosanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester;C27H54O5;C27-H54-O5;Q27280012

Suppliers and Price of Pentaerythritol monobehenate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Pentaerythritol monobehenate

Chemical Property:

Vapor Pressure:4.68E-15mmHg at 25°C
Boiling Point:563.7°Cat760mmHg
Flash Point:170.5°C
PSA：86.99000
Density:0.975g/cm³
LogP:6.31480
XLogP3:8.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:26
Exact Mass:458.39712482
Heavy Atom Count:32
Complexity:387

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO

Technology Process of Pentaerythritol monobehenate

There total 1 articles about Pentaerythritol monobehenate 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: 24.0%

: 115-77-5
Pentaerythritol

: 112-85-6
n-docosanoic acid

: 53161-46-9
1-O-docosanoylpentaerythritol

Guidance literature:: With Novozym 435 (obtained from NovozymesA/S, Bagsvaerd, Denmark); In tert-butyl alcohol; at 60 ℃; for 48h; Molecular sieve; Enzymatic reaction;
DOI:10.1039/c5gc00695c