TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER

Base Information

• Chemical Name: TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER
• CAS No.: 959-26-2
• Deprecated CAS: 51512-73-3,66446-15-9,66446-15-9
• Molecular Formula: C12H14O6
• Molecular Weight: 254.24
• Hs Code.: 2918199090
• European Community (EC) Number: 213-497-6
• UNII: J61IL5R964
• DSSTox Substance ID: DTXSID3052644
• Nikkaji Number: J141.640E
• Wikipedia: Bis(2-Hydroxyethyl)_terephthalate
• Wikidata: Q865947
• Mol file: 959-26-2.mol

Synonyms:1,4-Benzenedicarboxylicacid, bis(2-hydroxyethyl) ester (9CI);Terephthalic acid, bis(2-hydroxyethyl) ester(6CI,8CI);Ethylene glycol, terephthalate (2:1) (8CI);BHET(J);BHET-N;Bis(2-hydroxyethyl) terephthalate;Bis(ethylene glycol) terephthalate;Bis(hydroxyethyl) terephthalate;Bis(b-hydroxyethyl) terephthalate;Nisso BHET;Terephthalicacid diethylene glycol ester;Terephthalic acid diglycol ester;

Chemical Property of TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER

Chemical Property:

• Appearance/Colour: White to Off-White
• Vapor Pressure: 3.1E-08mmHg at 25°C
• Melting Point: 106-109 °C
• Refractive Index: 1.552
• Boiling Point: 446.5 °C at 760 mmHg
• PKA: 13.48±0.10(Predicted)
• Flash Point: 172 °C
• PSA: 93.06000
• Density: 1.315 g/cm³
• LogP: -0.01520
• Storage Temp.: Room Temperature, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• Water Solubility.: 6.011g/L at 20℃
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 254.07903816
• Heavy Atom Count: 18
• Complexity: 242

Purity/Quality:

99.9% ^*data from raw suppliers

Bis(2-hydroxyethyl) terephthalate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO
• Uses: Bis(2-hydroxyethyl) Terephthalate is used in the synthesis of branched polyethylene terephthalate.

Technology Process of TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER

There total 23 articles about TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) 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: 97.5%

terephthalic acid (100-21-0) + ethylene glycol (107-21-1) → Bis(2-Hydroxyethyl)terephthalat (959-26-2)

Guidance literature:

at 185 ℃; for 9h; Temperature; Time; Inert atmosphere;

Reference yield: 93.0%

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) + ethylene glycol (107-21-1) → Bis(2-Hydroxyethyl)terephthalat (959-26-2)

Guidance literature:

With C₃₀H₄₂N₂; potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 12h; Molecular sieve;

DOI:10.1021/acs.orglett.6b00835

Reference yield: 88.0%

ethylene glycol (107-21-1) → Bis(2-Hydroxyethyl)terephthalat (959-26-2)

Guidance literature:

With 1,5,7-triazabicyclo[5.5.0]dec-5-ene mesylate; at 180 ℃; for 2h; Reagent/catalyst; Catalytic behavior; Inert atmosphere; Sealed tube;

DOI:10.1039/c7gc03396f

upstream raw materials:

oxirane

terephthalic acid

1,4-benzenedicarboxylic acid dimethyl ester

ethylene glycol

Downstream raw materials:

2,7,9,14-tetraoxo-3,6,10,13-tetraoxa-1⁽¹⁾,8(1,4),15⁽¹⁾-tribenzena-pentadecaphane-1⁴,15⁴-dicarboxylic acid bis-(2-hydroxy-ethyl ester)

1,4-benzenedicarboxylic acid dimethyl ester

bis-1,4-(hydroxymethyl)cyclohexane

4-methylbenzoic acid ethyl ester

Refernces

• 1、 Wang, Hui,Yan, Ruiyi,Li, Zengxi,Zhang, Xiangping,Zhang, Suojiang. "Fe-containing magnetic ionic liquid as an effective catalyst for the glycolysis of poly(ethylene terephthalate)". . p. 763 - 767. Retrieved 2010.
• 2、 Eshaq, Gh.,Elmetwally. "(Mg-Zn)-Al layered double hydroxide as a regenerable catalyst for the catalytic glycolysis of polyethylene terephthalate". . p. 1 - 6. Retrieved 2016.
• 3、 Bravard, Shelly P.,Boyd, Richard H.. "Dielectric relaxation in amorphous poly(ethylene terephthalate) and poly(ethylene 2,6-naphthalene dicarboxylate) and their copolymers". . p. 741 - 748. Retrieved 2003.
• 4、 Jehanno, Coralie,Flores, Irma,Dove, Andrew P.,Müller, Alejandro J.,Ruipérez, Fernando,Sardon, Haritz. "Organocatalysed depolymerisation of PET in a fully sustainable cycle using thermally stable protic ionic salt". . p. 1205 - 1212. Retrieved 2018.
• 5、 -. "DISPERSION AND METHOD AND COMPOSITION FOR PREPARING THE SAME". Paragraph 0036. . Retrieved 2021/12/03.
• 6、 -. "Method for efficiently synthesizing bis(hydroxyethyl) terephthalate without catalysis". Paragraph 0029-0069. . Retrieved 2020/09/09.