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CAS No.: | 959-26-2 |
---|---|
Name: | TEREPHTHALIC ACID BIS(2-HYDROXYETHYL) ESTER |
Article Data: | 93 |
Molecular Structure: | |
Formula: | C12H14O6 |
Molecular Weight: | 254.24 |
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; |
EINECS: | 213-497-6 |
Density: | 1.315 g/cm3 |
Melting Point: | 106-109 °C |
Boiling Point: | 446.5 °C at 760 mmHg |
Flash Point: | 172 °C |
Solubility: | 6.011g/L at 20℃ |
Appearance: | White to Off-White |
Safety: | 22-24/25 |
PSA: | 93.06000 |
LogP: | -0.01520 |
Conditions | Yield |
---|---|
at 185℃; for 9h; Temperature; Time; Inert atmosphere; | 97.5% |
1,4-benzenedicarboxylic acid dimethyl ester
ethylene glycol
Bis(2-Hydroxyethyl)terephthalat
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% |
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; |
Conditions | Yield |
---|---|
With (Mg-Zn)-Al layered double hydroxide at 190℃; for 3h; Temperature; | 75% |
Conditions | Yield |
---|---|
With potassium hydroxide | |
With sodium hydroxide | |
With potassium hydroxide |
Conditions | Yield |
---|---|
With sodium hypochlorite |
1,4-benzenedicarboxylic acid dimethyl ester
ethylene glycol
A
Bis(2-Hydroxyethyl)terephthalat
B
bis(2-hydroxy ethyl terephthaloyl) ethylene
Conditions | Yield |
---|---|
With zinc diacetate; chloroacetic acid at 70℃; for 24h; | |
With zinc diacetate; chloroacetic acid at 70℃; for 24h; |
Bis(2-Hydroxyethyl)terephthalat
Conditions | Yield |
---|---|
With potassium tert-butylate; 4,5-Dihydro-1,3-diphenyl-1H-imidazoliumchlorid; ethylene glycol In tetrahydrofuran for 2h; |
Bis(2-Hydroxyethyl)terephthalat
Conditions | Yield |
---|---|
With sodium hydroxide; ethylene glycol at 215℃; under 975.098 Torr; for 1.83333h; |
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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: 24.63×10-24 cm3; (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%.
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