Dibutyl terephthalate

Base Information

• Chemical Name: Dibutyl terephthalate
• CAS No.: 1962-75-0
• Molecular Formula: C16H22 O4
• Molecular Weight: 278.348
• Hs Code.: 2917399090
• European Community (EC) Number: 217-803-9
• NSC Number: 6349
• UNII: 7O6SH6VN97
• DSSTox Substance ID: DTXSID3022168
• Nikkaji Number: J61.324J
• Wikidata: Q27268641
• Mol file: 1962-75-0.mol

Synonyms:DIBUTYL TEREPHTHALATE;1962-75-0;1,4-dibutyl benzene-1,4-dicarboxylate;dibutyl benzene-1,4-dicarboxylate;1,4-Benzenedicarboxylic acid, dibutyl ester;dibutylterephthalate;Terephthalic acid, dibutyl ester;Di-n-butylterephthalate;NSC 6349;EINECS 217-803-9;1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester;BRN 2137106;UNII-7O6SH6VN97;AI3-11048;7O6SH6VN97;NSC-6349;EC 217-803-9;butyl terephthalate;di-n-butyl terephthalate;SCHEMBL37476;terephthalic acid dibutyl ester;DTXSID3022168;NSC6349;CHEBI:180625;BAA96275;MFCD00043939;AKOS026676550;AS-57460;LS-148736;D93388;EN300-1699829;Q27268641;F8880-2472

Chemical Property of Dibutyl terephthalate

Chemical Property:

• Vapor Pressure: 7.84E-05mmHg at 25°C
• Melting Point: 16℃
• Refractive Index: 1.463 (45 oC)
• Boiling Point: 341.8°Cat760mmHg
• Flash Point: 180.2°C
• PSA: 52.60000
• Density: 1.053g/cm³
• LogP: 3.60040
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 5μg/L at 25℃
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 263

Purity/Quality:

99.9% ^*data from raw suppliers

1,4-Dibutylbenzene-1,4-dicarboxylate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCC

Technology Process of Dibutyl terephthalate

There total 23 articles about Dibutyl terephthalate 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: 99.6%

propan-1-ol (71-23-8) + terephthalic acid (100-21-0) → di-n-butyl terephthalate (1962-75-0)

Guidance literature:

propan-1-ol; terephthalic acid; With titanium(IV) isopropylate; at 180 ℃; for 3h; under 4560.31 Torr; Inert atmosphere;

propan-1-ol; With toluene-4-sulfonic acid; at 200 ℃; for 6h; under 4560.31 Torr; Reagent/catalyst; Inert atmosphere;

Reference yield: 95.0%

terephthalic acid (100-21-0) + butan-1-ol (71-36-3) → di-n-butyl terephthalate (1962-75-0)

Guidance literature:

With thionyl chloride; Heating;

DOI:10.1080/00397910601039226

Reference yield: 94.0%

methyl 4-(2-(dimethyl(oxo)-λ6-sulfaneylidene)acetyl)benzoate + butan-1-ol (71-36-3) → di-n-butyl terephthalate (1962-75-0)

Guidance literature:

at 120 ℃; for 40h; Sealed tube;

DOI:10.1055/s-0039-1690157

upstream raw materials:

terephthaloyl chloride

butan-1-ol

1,4-benzenedicarboxylic acid dimethyl ester

terephthalic acid

Downstream raw materials:

di(2-ethylhexyl)terephthalate

Refernces

• 1、 Li, Junxuan,Zhou, Jinlei,Wang, Yumei,Yu, Yue,Liu, Qiang,Yang, Tilong,Chen, Huoji,Cao, Hua. "Mechanistic insight into the synergistic Cu/Pd-catalyzed carbonylation of aryl iodides using alcohols and dioxygen as the carbonyl source". . p. 68 - 74. Retrieved 2021/11/16.
• 2、 -. "A METHOD FOR MANUFACTURING TEREPHTHALATE-BASED COMPOSITION COMPRISING APPLYING PRESSURE". Page/Page column title page; 2; 3. . Retrieved 2021/10/15.