Dioctyl succinate

Base Information

• Chemical Name: Dioctyl succinate
• CAS No.: 14491-66-8
• Molecular Formula: C20H38 O4
• Molecular Weight: 342.519
• Hs Code.: 29171310
• European Community (EC) Number: 238-499-4
• UNII: 8XD1ZF2M1M
• DSSTox Substance ID: DTXSID80932451
• Nikkaji Number: J120.634F
• Wikidata: Q27271155
• Mol file: 14491-66-8.mol

Synonyms:Dioctyl succinate;14491-66-8;Dioctyl butanedioate;Dicapryl succinate;Butanedioic acid, dioctyl ester;Succinic acid, dioctyl ester;Butanedioic acid, 1,4-dioctyl ester;8XD1ZF2M1M;dioctylsuccinate;di-octyl succinate;UNII-8XD1ZF2M1M;Succinic acid dioctyl ester;SCHEMBL54522;DICAPRYL SUCCINATE [INCI];DTXSID80932451;EINECS 238-499-4;AI3-07873;CS-0138366;Q27271155

Chemical Property of Dioctyl succinate

Chemical Property:

• Vapor Pressure: 7.93E-06mmHg at 25°C
• Refractive Index: 1.4490 to 1.4520
• Boiling Point: 375.2°C at 760 mmHg
• Flash Point: 168.2°C
• PSA: 52.60000
• Density: 0.936g/cm³
• LogP: 5.57400
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 342.27700969
• Heavy Atom Count: 24
• Complexity: 272

Purity/Quality:

98% ^*data from raw suppliers

Di-n-octylSebacate(95%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC

Technology Process of Dioctyl succinate

There total 5 articles about Dioctyl succinate 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%

octanol (111-87-5) + succinic acid (110-15-6) → di-n-octyl succinate (14491-66-8)

Guidance literature:

zirconium(IV) oxide; at 180 ℃; for 2h; in autoclave;

DOI:10.1246/bcsj.62.2353

Reference yield: 96.0%

succinic acid anhydride (108-30-5) + octanol (111-87-5) → di-n-octyl succinate (14491-66-8)

Guidance literature:

With sulfuric acid; In toluene; for 16h; Heating;

DOI:10.1055/s-2007-983901

Reference yield:

octanol (111-87-5) + Dimethyl succinate (106-65-0) → di-n-octyl succinate (14491-66-8) + octyl methyl succinate

Guidance literature:

With Candida antarctica lipase B immobilised on acrylic carriers; In neat (no solvent); at 25 ℃; Enzymatic reaction;

DOI:10.1039/c9cy01181a

upstream raw materials:

maleic anhydride

octanol

succinic acid

succinic acid anhydride

Downstream raw materials:

dioctyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate

succinic acid

Refernces

• 1、 Finnveden, Maja,Semlitsch, Stefan,He, Oscar,Martinelle, Mats. "Mono-substitution of symmetric diesters: Selectivity of: Mycobacterium smegmatis acyltransferase variants". . p. 4920 - 4927. Retrieved 2019/10/05.
• 2、 Wang, Wei,Liu, Huimin,Xu, Shaoyi,Gao, Yong. "Esterification catalysis by pyridinium p -toluenesulfonate revisited - Modification with a lipid chain for improved activities and selectivities". . p. 2906 - 2912. Retrieved 2013/09/02.