Dibutyl glutarate

Base Information

• Chemical Name: Dibutyl glutarate
• CAS No.: 6624-57-3
• Molecular Formula: C13 H24 O4
• Molecular Weight: 244.331
• Hs Code.: 2917190090
• European Community (EC) Number: 229-581-0
• NSC Number: 53802
• UNII: 256DSJ2IUF
• DSSTox Substance ID: DTXSID20216444
• Nikkaji Number: J127.933E
• Wikidata: Q65224782
• Mol file: 6624-57-3.mol

Synonyms:Dibutyl glutarate;6624-57-3;Glutaric acid, dibutyl ester;Pentanedioic acid, dibutyl ester;1,5-DIBUTYL PENTANEDIOATE;di-n-butyl glutarate;256DSJ2IUF;pentanedioic acid dibutyl ester;EINECS 229-581-0;NSC 53802;NSC-53802;AI3-06043;Dibutyl pentanedioate;Pentanedioic acid, 1,5-dibutyl ester;butyl glutarate;Dibutyl pentanedioate #;UNII-256DSJ2IUF;Glutaric acid dibutyl ester;SCHEMBL51177;DTXSID20216444;NSC53802;MFCD00435663;AKOS024390838;AS-83270;CS-0240762;E85199;EN300-22995072;Q65224782;Z795212590

Chemical Property of Dibutyl glutarate

Chemical Property:

• Vapor Pressure: 0.00244mmHg at 25°C
• Melting Point: -50.6 °C
• Boiling Point: 287.7°C at 760 mmHg
• Flash Point: 129.2°C
• PSA: 52.60000
• Density: 0.976g/cm³
• LogP: 2.84330
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.16745924
• Heavy Atom Count: 17
• Complexity: 192

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CCCC(=O)OCCCC

Technology Process of Dibutyl glutarate

There total 10 articles about Dibutyl glutarate 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: 95.0%

1,5-pentanedioic acid (110-94-1) + n-butyl formate (592-84-7) → Pentanedioic acid dibutyl ester (6624-57-3) + Pentanedioic acid monobutyl ester (93504-86-0)

Guidance literature:

With Dowex 50W-X₂ (50-100 mesh); In octane; at 70 ℃; for 3h;

DOI:10.1016/S0040-4039(96)01454-2

Reference yield: 92.0%

1,5-pentanedioic acid (110-94-1) + acetic acid butyl ester (123-86-4) → Pentanedioic acid dibutyl ester (6624-57-3) + Pentanedioic acid monobutyl ester (93504-86-0)

Guidance literature:

With Dowex 50W-X₂ (50-100 mesh); In octane; at 70 ℃; for 7.33333h;

DOI:10.1016/S0040-4039(96)01454-2

Reference yield: 91.0%

1,5-pentanedioic acid (110-94-1) + butan-1-ol (71-36-3) → Pentanedioic acid dibutyl ester (6624-57-3)

Guidance literature:

With Candida antarctica lipase B; In cyclohexane; at 45 ℃; for 4h;

DOI:10.1016/j.apcata.2019.01.030

upstream raw materials:

1,5-pentanedioic acid

butan-1-ol

1-bromo-butane

acetic acid butyl ester

Downstream raw materials:

1 ,5-pentanediol

Refernces

• 1、 Szelwicka, Anna,Boncel, S?awomir,Jurczyk, Sebastian,Chrobok, Anna. "Exceptionally active and reusable nanobiocatalyst comprising lipase non-covalently immobilized on multi-wall carbon nanotubes for the synthesis of diester plasticizers". . p. 41 - 47. Retrieved 2019/02/07.
• 2、 -. "PROCESS FOR DOUBLE CARBONYLATION OF ALLYL ALCOHOLS TO CORRESPONDING DIESTERS". Paragraph 0064; 0069; 0070; 0075-0182. . Retrieved 2017/07/14.