Dioctyl terephthalate supplier

Name
Dioctyl terephthalate
EINECS 229-176-9
CAS No. 6422-86-2
Article Data30
CAS DataBase
Density 0.983 g/cm³
Solubility insoluble in water
Melting Point 30-34 °C(lit.)
Formula C₂₄H₃₈O₄
Boiling Point 400 °C at 760 mmHg
Molecular Weight 390.563
Flash Point 208.4 °C
Transport Information
Appearance clear colorless liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Benzenedicarboxylicacid, bis(2-ethylhexyl) ester (9CI);Terephthalic acid, bis(2-ethylhexyl) ester(6CI,7CI,8CI);Bis(2-ethylhexyl) terephthalate;Di-(2-ethylhexyl)terephthalate;Eastman 168;JP 110;Kodaflex DOTP;
PSA 52.60000
LogP 6.43300

Synthetic route

: 104-76-7
2-Ethylhexyl alcohol

: 100-21-0
terephthalic acid

: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With phenol and titanium tetraisopropoxide resin at 200℃; for 4h; Reagent/catalyst; Dean-Stark; Inert atmosphere;	99.5%
With titanium(IV) isopropylate at 170 - 200℃; Inert atmosphere; Large scale;	99%
With titanium(IV) isopropylate at 170 - 220℃; under 760.051 Torr; for 4.5h; Inert atmosphere; Large scale;	99%

: 104-76-7
2-Ethylhexyl alcohol

polyethylene terephthalate: polyethylene terephthalate

: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With choline chloride; zinc diacetate at 185℃; for 1h; Kinetics; Reagent/catalyst; Temperature; Time; Green chemistry;	84.2%
With titanium(IV) isopropylate at 180 - 225℃; for 5h; Inert atmosphere;

: 100-21-0
terephthalic acid

(+-)-2-ethyl-hexanol: (+-)-2-ethyl-hexanol

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 104-76-7
2-Ethylhexyl alcohol

: 100-21-0
terephthalic acid

: 71-36-3
butan-1-ol

A: 1962-75-0
di-n-butyl terephthalate

B: 6422-86-2
di(2-ethylhexyl)terephthalate

C: 1-butyl 4-(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With methanesulfonic acid at 210℃; under 760.051 Torr; for 4h; Inert atmosphere;

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 1962-75-0
di-n-butyl terephthalate

A: 6422-86-2
di(2-ethylhexyl)terephthalate

B: 1-butyl 4-(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
at 140℃; for 5h; Inert atmosphere;

...Expand

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 84731-70-4
bis(2-ethylhexyl)cyclohexane-1,4-dicarboxylate

Conditions

Conditions	Yield
With hydrogen at 150℃; under 60006 Torr; for 3h;	99%
With hydrogen; alumina substrate/0.05 wtpercent Ru at 140℃; under 150015 Torr; for 3.5h;	97%

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 71-36-3
butan-1-ol

A: 1962-75-0
di-n-butyl terephthalate

B: 1-butyl 4-(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With titanium tetraisopropoxide at 160℃; for 4h; Reagent/catalyst; Temperature; Concentration; Inert atmosphere; Large scale;
at 160℃; for 2h; Inert atmosphere;
at 160℃; for 2h; Inert atmosphere;

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 100-21-0
terephthalic acid

: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With phenol and titanium tetraisopropoxide resin at 200℃; for 4h; Reagent/catalyst; Dean-Stark; Inert atmosphere;	99.5%
With titanium(IV) isopropylate at 170 - 200℃; Inert atmosphere; Large scale;	99%
With titanium(IV) isopropylate at 170 - 220℃; under 760.051 Torr; for 4.5h; Inert atmosphere; Large scale;	99%

: 104-76-7
2-Ethylhexyl alcohol

polyethylene terephthalate: polyethylene terephthalate

: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With choline chloride; zinc diacetate at 185℃; for 1h; Kinetics; Reagent/catalyst; Temperature; Time; Green chemistry;	84.2%
With titanium(IV) isopropylate at 180 - 225℃; for 5h; Inert atmosphere;

: 100-21-0
terephthalic acid

(+-)-2-ethyl-hexanol: (+-)-2-ethyl-hexanol

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 104-76-7
2-Ethylhexyl alcohol

: 100-21-0
terephthalic acid

: 71-36-3
butan-1-ol

A: 1962-75-0
di-n-butyl terephthalate

B: 6422-86-2
di(2-ethylhexyl)terephthalate

C: 1-butyl 4-(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With methanesulfonic acid at 210℃; under 760.051 Torr; for 4h; Inert atmosphere;

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 1962-75-0
di-n-butyl terephthalate

A: 6422-86-2
di(2-ethylhexyl)terephthalate

B: 1-butyl 4-(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
at 140℃; for 5h; Inert atmosphere;

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: bis(2-propylheptyl)terephthalate

A: 6422-86-2
di(2-ethylhexyl)terephthalate

B: 2-propylheptyl 2-ethylhexyl terephthalate

Conditions

Conditions	Yield
With titanium tetraisopropoxide at 160℃; for 5h; Inert atmosphere;

...Expand

: 100-21-0
terephthalic acid

A: 6422-86-2
di(2-ethylhexyl)terephthalate

B: 1-butyl 4-(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanesulfonic acid / 4 h / 210 °C / 760.05 Torr / Inert atmosphere 2: 5 h / 140 °C / Inert atmosphere View Scheme

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

: 104-76-7
2-Ethylhexyl alcohol

: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate; 2-(Ethylamino)ethanol for 1.4h; Heating;

: 104-76-7
2-Ethylhexyl alcohol

: 121-91-5
isophthalic acid

: 100-21-0
terephthalic acid

A: 137-89-3
Bis(2-ethylhexyl) isophthalate

B: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With titanium(IV) tetraethanolate at 220℃; for 5h; Concentration; Inert atmosphere;

...Expand

: 10042-59-8
2-propylheptan-1-ol

: 104-76-7
2-Ethylhexyl alcohol

: 100-21-0
terephthalic acid

A: 6422-86-2
di(2-ethylhexyl)terephthalate

B: bis(2-propylheptyl)terephthalate

C: 2-propylheptyl 2-ethylhexyl terephthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 235℃; for 4h; Temperature; Inert atmosphere;

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 66793-83-7
2-isononyl alcohol

: 100-21-0
terephthalic acid

A: 6422-86-2
di(2-ethylhexyl)terephthalate

B: diisononyl terephthalate

C: ethylhexyl isononyl terephthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 220℃; for 9h;	A 10 %Chromat. B 36 %Chromat. C 54 %Chromat.

...Expand

: 1653-40-3
6-methylheptanol

: 100-21-0
terephthalic acid

: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate; monobutyltin triisooctanoate at 150 - 230℃; for 2h; Reagent/catalyst; Temperature;

: 104-76-7
2-Ethylhexyl alcohol

: 2430-22-0
7-methyl-1-octanol

: 100-21-0
terephthalic acid

A: diisononyl terephthalate

B: 6422-86-2
di(2-ethylhexyl)terephthalate

C: (2-ethylhexyl) isononyl terephthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 170 - 220℃; for 4.5h; Inert atmosphere;

...Expand

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 84731-70-4
bis(2-ethylhexyl)cyclohexane-1,4-dicarboxylate

Conditions

Conditions	Yield
With hydrogen at 150℃; under 60006 Torr; for 3h;	99%
With hydrogen; alumina substrate/0.05 wtpercent Ru at 140℃; under 150015 Torr; for 3.5h;	97%

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 71-36-3
butan-1-ol

A: 1962-75-0
di-n-butyl terephthalate

B: 1-butyl 4-(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With titanium tetraisopropoxide at 160℃; for 4h; Reagent/catalyst; Temperature; Concentration; Inert atmosphere; Large scale;
at 160℃; for 2h; Inert atmosphere;
at 160℃; for 2h; Inert atmosphere;

...Expand

: 10042-59-8
2-propylheptan-1-ol

: 6422-86-2
di(2-ethylhexyl)terephthalate

: bis(2-propylheptyl)terephthalate

Conditions

Conditions	Yield
With titanium tetraisopropoxide at 160℃; for 5h; Inert atmosphere;

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 2-propylheptyl 2-ethylhexyl terephthalate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere 2: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere View Scheme

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 1962-75-0
di-n-butyl terephthalate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere 2: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere 3: titanium tetraisopropoxide / 4 h / 160 °C / Inert atmosphere; Large scale View Scheme

: 6422-86-2
di(2-ethylhexyl)terephthalate

: bis(2-propylheptyl)terephthalate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: titanium tetraisopropoxide / 4 h / 160 °C / Inert atmosphere; Large scale 2: 5 h / 140 °C / Inert atmosphere 3: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere View Scheme

: 6422-86-2
di(2-ethylhexyl)terephthalate

A: C24H44O4

B: C24H44O4

Conditions

Conditions	Yield
With hydrogen at 120℃; under 150015 Torr; for 12h; Reagent/catalyst;
With Rh/Al2O3; hydrogen at 155 - 165℃; under 112511 Torr; Temperature; Industrial scale; stereoselective reaction;

: 78-83-1
2-methyl-propan-1-ol

: 6422-86-2
di(2-ethylhexyl)terephthalate

A: 18699-48-4
diisobutyl terephthalate

B: isobutyl(2-ethylhexyl) terephthalate

Conditions

Conditions	Yield
at 160℃; for 2h; Inert atmosphere;

...Expand

: 1962-75-0
di-n-butyl terephthalate

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 1-butyl 4-(2-ethylhexyl)terephthalate

A: 84731-70-4
bis(2-ethylhexyl)cyclohexane-1,4-dicarboxylate

B: 1,4-DBCH

C: 1,4-BEHCH

Conditions

Conditions	Yield
With hydrogen at 150℃; under 60006 Torr; for 3h;

...Expand

: 6422-86-2
di(2-ethylhexyl)terephthalate

: 1,4-BEHCH

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 2 h / 160 °C / Inert atmosphere 2: hydrogen / 3 h / 150 °C / 60006 Torr View Scheme

Dioctyl terephthalate Specification

The IUPAC name of Bis(2-ethylhexyl) terephthalate is bis(2-ethylhexyl) benzene-1,4-dicarboxylate. With the CAS registry number 6422-86-2, it is also named as Terephthalic acid, bis(2-ethylhexyl) ester. The other registry number is 144981-82-8. It is clear colorless liquid which is insoluble in water. It is low toxic and flammable. So the storage environment should be ventilate, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 9.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.54; (4)ACD/LogD (pH 7.4): 9.54; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 16; (8)Index of Refraction: 1.488; (9)Molar Refractivity: 114.57 cm³; (10)Molar Volume: 397 cm³; (11)Polarizability: 45.42×10^-24cm³; (12)Surface Tension: 35.4 dyne/cm; (13)Enthalpy of Vaporization: 65.08 kJ/mol; (14)Vapour Pressure: 1.31E-06 mmHg at 25°C; (15)Rotatable Bond Count: 16; (16)Exact Mass: 390.27701; (17)MonoIsotopic Mass: 390.27701; (18)Topological Polar Surface Area: 52.6; (19)Heavy Atom Count: 28; (20)Complexity: 386.

Uses of Bis(2-ethylhexyl) terephthalate: It has low volatility and good low-temperature flexibility. Water-tolerant, oil-tolerant and electrooxidation performance are particularly prominent. So it is used as plasticizer in soft PVC and cable.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCC(CC)CCCC)c1ccc(C(=O)OCC(CC)CCCC)cc1
2. InChI:InChI=1/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	oral	20gm/kg (20000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(8), Pg. 91, 1982.

Product Name

Dioctyl terephthalate

Synthetic route

Dioctyl terephthalate Specification

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