Propanoic acid, 3,3'-thiobis-, dihexadecyl ester

Base Information

• Chemical Name: Propanoic acid, 3,3'-thiobis-, dihexadecyl ester
• CAS No.: 3287-12-5
• Molecular Formula: C38H74 O4 S
• Molecular Weight: 627.069
• Hs Code.: 2930909090
• European Community (EC) Number: 221-941-5
• UNII: 62P18A9Q8N
• DSSTox Substance ID: DTXSID7062956
• Nikkaji Number: J262.282C
• Wikidata: Q27263507
• Mol file: 3287-12-5.mol

Synonyms:Dicetyl thiodipropionate;3287-12-5;Propanoic acid, 3,3'-thiobis-, dihexadecyl ester;Dihexadecyl 3,3'-thiobispropionate;hexadecyl 3-(3-hexadecoxy-3-oxopropyl)sulfanylpropanoate;62P18A9Q8N;Propanoic acid, 3,3'-thiobis-, 1,1'-dihexadecyl ester;3,3'-Thiobispropanoic acid, dihexadecyl ester;SCHEMBL73895;UNII-62P18A9Q8N;DTXSID7062956;DIHEXADECYL THIODIPROPIONATE;EINECS 221-941-5;DICETYL THIODIPROPIONATE [INCI];DIPALMITYL 3,3'-THIODIPROPIONATE;3,3'-Thiobis(propanoic acid hexadecyl) ester;Q27263507;PROPIONIC ACID, 3,3'-THIODI-, DIHEXADECYL ESTER;1-HEXADECANOL DIESTER WITH 3,3'-THIODIPROPIONIC ACID

Chemical Property of Propanoic acid, 3,3'-thiobis-, dihexadecyl ester

Chemical Property:

• Melting Point: 59-62 °C
• Boiling Point: 665.4°Cat760mmHg
• Flash Point: 305°C
• PSA: 77.90000
• Density: 0.926g/cm³
• LogP: 12.54880
• XLogP3: 16
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 38
• Exact Mass: 626.53078201
• Heavy Atom Count: 43
• Complexity: 520

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCC

Technology Process of Propanoic acid, 3,3'-thiobis-, dihexadecyl ester

There total 2 articles about Propanoic acid, 3,3'-thiobis-, dihexadecyl ester 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: 84.0%

4-thiaheptane-1,7-dioic acid (111-17-1) + 1-Hexadecanol (36653-82-4,124-29-8) → dihexadecyl 3,3'-thiodipropionate (3287-12-5)

Guidance literature:

With Novozym 435; at 80 ℃; for 4h; under 600.048 Torr;

DOI:10.1021/jf0530502

Reference yield:

1-Hexadecanol (36653-82-4,124-29-8) + thiodipropionic acid bis-amide (5459-10-9) → dihexadecyl 3,3'-thiodipropionate (3287-12-5)

Guidance literature:

DOI:10.1039/jr9500000736

upstream raw materials:

1-Hexadecanol

thiodipropionic acid bis-amide

4-thiaheptane-1,7-dioic acid