1,4-Benzenedicarboxylicacid, 1,4-bis(2-hydroxyethyl) ester supplier

Name
TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER
EINECS 213-497-6
CAS No. 959-26-2
Article Data93
CAS DataBase
Density 1.315 g/cm³
Solubility 6.011g/L at 20℃
Melting Point 106-109 °C
Formula C₁₂H₁₄O₆
Boiling Point 446.5 °C at 760 mmHg
Molecular Weight 254.24
Flash Point 172 °C
Transport Information
Appearance White to Off-White
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 93.06000
LogP -0.01520

Synthetic route

: 100-21-0
terephthalic acid

: 107-21-1
ethylene glycol

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
at 185℃; for 9h; Temperature; Time; Inert atmosphere;	97.5%

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

: 107-21-1
ethylene glycol

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With C30H42N2; potassium tert-butylate In tetrahydrofuran at 20℃; for 12h; Molecular sieve;	93%
With potassium tert-butylate; (1,3-biphenyl)imidazolinium chloride In tetrahydrofuran for 0.5h;	83%
With 1,3-di(2,4,6-trimethylphenyl)-2-(pentafluorophenyl)-2,4,5-trihydroimidazole In tetrahydrofuran at 65℃; for 3h;	75%

: 107-21-1
ethylene glycol

poly(ethylene terephthalate): poly(ethylene terephthalate)

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With 1,5,7-triazabicyclo[5.5.0]dec-5-ene mesylate at 180℃; for 2h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Sealed tube;	88%
With calcium oxide at 192℃; for 4h; Catalytic behavior; Mechanism; Reagent/catalyst; Time;	76%
at 150℃; under 760.051 Torr; for 4h; Ionic liquid;

: C10H8O4Pol2

: 107-21-1
ethylene glycol

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With (Mg-Zn)-Al layered double hydroxide at 190℃; for 3h; Temperature;	75%

: 75-21-8
oxirane

: 100-21-0
terephthalic acid

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With potassium hydroxide
With sodium hydroxide
With potassium hydroxide

: 1009-61-6
1,4-Diacetylbenzene

: 107-21-1
ethylene glycol

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With sodium hypochlorite

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

: 107-21-1
ethylene glycol

A: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

B: 2144-69-6
bis(2-hydroxy ethyl terephthaloyl) ethylene

Conditions

Conditions	Yield
With zinc diacetate; chloroacetic acid at 70℃; for 24h;
With zinc diacetate; chloroacetic acid at 70℃; for 24h;

...Expand

: 107-07-3
2-chloro-ethanol

disodium-salt of/the/ terephthalic acid: disodium-salt of/the/ terephthalic acid

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

poly(ethylene terephthalate): poly(ethylene terephthalate)

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With potassium tert-butylate; 4,5-Dihydro-1,3-diphenyl-1H-imidazoliumchlorid; ethylene glycol In tetrahydrofuran for 2h;

polyethylene terephthalate resin: polyethylene terephthalate resin

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With sodium hydroxide; ethylene glycol at 215℃; under 975.098 Torr; for 1.83333h;

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

: 107-21-1
ethylene glycol

A: 67-56-1
methanol

B: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

...Expand

: 100-21-0
terephthalic acid

: 108-10-1
4-methyl-2-pentanone

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Deloxan ASP I/7: Deloxan ASP I/7

: 107-21-1
ethylene glycol

A: 65133-69-9
2-(2-hydroxyethoxy)ethyl 2-hydroxyethyl terephthalate

B: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

C: 111-46-6
diethylene glycol

Conditions

Conditions	Yield
Stage #1: Deloxan ASP I/7 at 280℃; Stage #2: ethylene glycol; sodium hydroxide at 220℃; Product distribution / selectivity;

...Expand

Deloxan ASP I/7: Deloxan ASP I/7

: 107-21-1
ethylene glycol

A: 65133-69-9
2-(2-hydroxyethoxy)ethyl 2-hydroxyethyl terephthalate

B: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
Stage #1: Deloxan ASP I/7 at 250℃; under 760.051 Torr; Stage #2: ethylene glycol; sodium hydroxide at 220℃; under 1125.11 Torr; Stage #3: With cation exchange resin "AMBERLITE IR-120B"; anion exchange resin "AMBERLITE IRA96SB"; cation exchange resin "AMBERLITE IR-120B" Product distribution / selectivity; more than 3 stages;

...Expand

Deloxan ASP I/7: Deloxan ASP I/7

polymethaxylylene adipamide: polymethaxylylene adipamide

: 107-21-1
ethylene glycol

A: 65133-69-9
2-(2-hydroxyethoxy)ethyl 2-hydroxyethyl terephthalate

B: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

C: 111-46-6
diethylene glycol

Conditions

Conditions	Yield
Stage #1: Deloxan ASP I/7; polymethaxylylene adipamide at 250℃; under 760.051 Torr; Stage #2: ethylene glycol; sodium hydroxide at 220℃; under 975.098 Torr; Stage #3: With cation exchange resin "AMBERLITE IR-120B"; anion exchange resin "AMBERLITE IRA96SB"; cation exchange resin "AMBERLITE IR-120B" Product distribution / selectivity; more than 3 stages;

...Expand

polyethylene terephthalate: polyethylene terephthalate

: 107-21-1
ethylene glycol

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
potassium carbonate at 185℃; for 4h; Product distribution / selectivity;

: 107-21-1
ethylene glycol

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
1,8-diazabicyclo[5.4.0]undec-7-ene at 190℃; for 0.108333h; Product distribution / selectivity;

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

: 107-21-1
ethylene glycol

A: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

B: 3645-00-9
terephthalic acid-(2-hydroxyethyl ester)-methyl ester

Conditions

Conditions	Yield
1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine for 24h; Product distribution / selectivity;
1,8-diazabicyclo[5.4.0]undec-7-ene for 24h; Product distribution / selectivity;

...Expand

: poly(ethylene terephthalate)

: 107-21-1
ethylene glycol

A: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

B: 2144-69-6
bis(2-hydroxy ethyl terephthaloyl) ethylene

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; benzoic acid at 190℃; Reagent/catalyst; Temperature; Solvent; Schlenk technique;

...Expand

: 107-21-1
ethylene glycol

poly(ethyleneterephthalate) (PET): poly(ethyleneterephthalate) (PET)

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With iron(III) oxide at 300℃; under 750.075 Torr; for 1h; Temperature;	> 90 %Chromat.

: 107-21-1
ethylene glycol

PETG polyester: PETG polyester

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

Conditions

Conditions	Yield
With zinc diacetate In water at 197℃; for 3h; Catalytic behavior; Inert atmosphere;

: 75-21-8
oxirane

: 100-21-0
terephthalic acid

A: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

B: 1137-99-1
mono(2-hydroxyethyl) terephthalic acid

Conditions

Conditions	Yield
With sodium carbonate In 1,2-dimethoxyethane; water at 120℃; under 5149 Torr; Solvent;

...Expand

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 68-11-1
mercaptoacetic acid

: bis(5-mercapto-4-keto-3-oxa pentyl) terephthalate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In tetrahydrofuran; benzene for 24h; Heating;	100%

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

: 1356927-80-4
C38H44N2O8

Conditions

Conditions	Yield
With dibutyltin dilaurate In tetrahydrofuran at 80℃; for 5h; Inert atmosphere;	100%

: 67-56-1
methanol

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
In water at 70℃; for 12h; Concentration; Green chemistry;	97.8%
potassium carbonate In ethylene glycol at 75 - 80℃; under 760.051 Torr; for 1h; Product distribution / selectivity;

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: bis(2-hydroxyethyl) cyclohexane-1,4-dicarboxylate

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In neat (no solvent) at 154.84℃; under 52505.3 Torr; for 3h; Temperature; Pressure; Autoclave;	95%

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 70℃; for 0.666667h; Temperature;	89.5%
With water; sodium hydroxide at 80℃; for 0.666667h;	80.5%

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 105-08-8
bis-1,4-(hydroxymethyl)cyclohexane

Conditions

Conditions	Yield
Stage #1: Bis(2-Hydroxyethyl)terephthalat With tin(II) chloride dihdyrate; ruthenium(III) chloride trihydrate; alumina; Cl6H6Pt(2-)2H(1+)6H2O; hydrogen In water at 180 - 260℃; under 37503.8 Torr; for 10h; Autoclave; Stage #2: With sodium tetrahydroborate; sodium hydroxide at 500℃; for 5.5h; pH=9; Reagent/catalyst; Concentration; Temperature;	87.1%

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 1026-93-3
bis(2-chloroxyethyl) terephthalate

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In toluene at 0℃; for 2h; Time;	83.6%
With thionyl chloride at 73℃; under 760.051 Torr; for 4h;
With thionyl chloride

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 32676-75-8
bis(2-bromoethyl)terephthalate

Conditions

Conditions	Yield
With phosphorus tribromide In N,N-dimethyl-formamide at 0℃; for 2h; Time;	81.5%

: 4074-90-2
divinyl adipate

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: O,O’-((terephthaloylbis(oxy))bis(ethane-2,1-diyl)) divinyl diadipate

Conditions

Conditions	Yield
With 1-butyl-3-methylimidazolium Tetrafluoroborate; 2-hydroxyresorcinol In acetone at 65℃; for 40h; Enzymatic reaction;	79%

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

A: C12H15O9P

B: C24H27O14P

Conditions

Conditions	Yield
Stage #1: Bis(2-Hydroxyethyl)terephthalat With [1,3]-dioxolan-2-one; phosphorus pentoxide at 80℃; for 3h; Cooling with ice; Stage #2: With water at 70℃; for 1h;	A 79% B 10%
With phosphorus pentoxide In 1,2-dichloro-ethane at 80℃; for 3h;
With phosphorus pentoxide In 1,2-dichloro-ethane at 80℃; for 3h; Cooling with ice;

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

A: 94-08-6
4-methylbenzoic acid ethyl ester

B: 106-42-3
para-xylene

C: 105-08-8
bis-1,4-(hydroxymethyl)cyclohexane

Conditions

Conditions	Yield
With hydrogen at 170 - 260℃; under 37503.8 Torr; for 8h; Autoclave;	A n/a B n/a C 78.4%

...Expand

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: bis(2-hydroxyethyl) 2-nitroterephthalate

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 60 - 80℃; for 16h;	66.9%
With sulfuric acid; nitric acid at 10 - 60℃; for 1h; Temperature;	62.6%
With sulfuric acid; nitric acid at 60 - 80℃; for 10h;
With sulfuric acid; nitric acid at 60 - 80℃; for 11h;

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 7377-26-6
4-Methoxycarbonylbenzoyl chloride

: 5611-81-4
1,4-bis[2-[[4-(methoxycarbonyl) benzoyl]oxy]ethyl] 1,4-benzenedicarboxylate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 12.25h; Schotten-Baumann Reaction;	62%

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

A: 94-08-6
4-methylbenzoic acid ethyl ester

B: 106-42-3
para-xylene

C: 105-08-8
bis-1,4-(hydroxymethyl)cyclohexane

D: C10H18O3

E: C10H18O4

Conditions

Conditions	Yield
With hydrogen at 230℃; under 37503.8 Torr; for 8h; Autoclave;	A n/a B n/a C 47.2% D n/a E n/a

...Expand

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

A: 94-08-6
4-methylbenzoic acid ethyl ester

B: 106-42-3
para-xylene

C: 105-08-8
bis-1,4-(hydroxymethyl)cyclohexane

D: 34885-03-5
(4-methylcyclohexyl)methanol

E: 589-90-2
1,4 dimethylcyclohexane

Conditions

Conditions	Yield
With hydrogen at 260℃; under 37503.8 Torr; for 8h; Autoclave;	A n/a B n/a C 28.5% D n/a E n/a

...Expand

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

A: 94-08-6
4-methylbenzoic acid ethyl ester

B: 106-42-3
para-xylene

C: 105-08-8
bis-1,4-(hydroxymethyl)cyclohexane

D: C10H18O4

E: 34885-03-5
(4-methylcyclohexyl)methanol

F: 589-90-2
1,4 dimethylcyclohexane

Conditions

Conditions	Yield
With hydrogen at 170 - 260℃; under 37503.8 Torr; for 8h; Autoclave;	A n/a B n/a C 14.7% D n/a E n/a F n/a

...Expand

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

A: 94-08-6
4-methylbenzoic acid ethyl ester

B: 106-42-3
para-xylene

C: 105-08-8
bis-1,4-(hydroxymethyl)cyclohexane

D: C10H18O4

Conditions

Conditions	Yield
With hydrogen at 170 - 260℃; under 37503.8 Torr; for 8h; Autoclave;	A n/a B n/a C 5.3% D n/a

...Expand

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 199620-14-9, 13007-92-6
chromium(0) hexacarbonyl

: 97705-69-6
(HOCH2CH2O2C)2C6H4Cr(CO)3

Conditions

Conditions	Yield
boiling;;	4%
boiling;;	4%

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 16033-73-1
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)

: 75-77-4
chloro-trimethyl-silane

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 18531-55-0
Terephthalic acid bis(2-hydroxyethyl) ester bis(TMS) ether

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 67852-95-3
4-benzyloxycarbonyl-benzoyl chloride

: 80445-00-7
2,7,9,14-tetraoxo-3,6,10,13-tetraoxa-1(1),8(1,4),15(1)-tribenzena-pentadecaphane-14,154-dicarboxylic acid dibenzyl ester

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 16033-73-1
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)

Conditions

Conditions	Yield
at 220℃;

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 1137-99-1
mono(2-hydroxyethyl) terephthalic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 2144-69-6
bis(2-hydroxy ethyl terephthaloyl) ethylene

Conditions

Conditions	Yield
at 200℃;
With cobalt(III) chloride at 250℃;

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 34298-51-6
2,7,9,14,16,21-hexaoxo-3,6,10,13,17,20-hexaoxa-1,22-dibenzena-8,15-di-(1,4)benzena-docosaphane-14,224-dicarboxylic acid bis-(2-hydroxy-ethyl ester)

Conditions

Conditions	Yield
With sodium methylate at 230℃;

1,4-Benzenedicarboxylicacid, 1,4-bis(2-hydroxyethyl) ester Specification

The 1,4-Benzenedicarboxylicacid, 1,4-bis(2-hydroxyethyl) ester, with the CAS registry number 959-26-2, is also known as Bis(ethyleneglycol)terephthalate. Its EINECS number is 213-497-6. It belongs to the product categories of Classes of Alcohols; Monomers; Polymer Science. This chemical's molecular formula is C₁₂H₁₄O₆ and molecular weight is 254.24. What's more, its systematic name is Bis(2-hydroxyethyl) benzene-1,4-dicarboxylate. Besides, when using it, you should not breathe dust and avoid contact with skin and eyes.

Physical properties of 1,4-Benzenedicarboxylicacid, 1,4-bis(2-hydroxyethyl) ester are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 35.61; (8)ACD/KOC (pH 7.4): 35.61; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 71.06 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 62.13 cm³; (15)Molar Volume: 193.2 cm³; (16)Polarizability: 24.63×10^-24cm³; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.315 g/cm³; (19)Flash Point: 172 °C; (20)Enthalpy of Vaporization: 74.26 kJ/mol; (21)Boiling Point: 446.5 °C at 760 mmHg; (22)Vapour Pressure: 9.35E-09 mmHg at 25°C.

Uses of 1,4-Benzenedicarboxylicacid, 1,4-bis(2-hydroxyethyl) ester: it can be used to produce terephthalic acid bis-(2-mercaptoacetoxy-ethyl) ester by heating. It will need reagent p-MeC₆H₄SO₃H and solvents benzene, tetrahydrofuran with the reaction time of 24 hours. The yield is about 100%.

1,4-Benzenedicarboxylicacid, 1,4-bis(2-hydroxyethyl) ester can be used to produce terephthalic acid bis-(2-mercaptoacetoxy-ethyl) ester by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCCO)c1ccc(C(=O)OCCO)cc1
(2)InChI: InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
(3)InChIKey: QPKOBORKPHRBPS-UHFFFAOYSA-N

Product Name

TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER

Synthetic route

1,4-Benzenedicarboxylicacid, 1,4-bis(2-hydroxyethyl) ester Specification

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