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1962-75-0

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1962-75-0 Usage

General Description

Dibutyl terephthalate is a chemical compound commonly used as a plasticizer and fragrance ingredient. It is derived from terephthalic acid and is used to enhance the flexibility and durability of various materials such as polymers, resins, and adhesives. Dibutyl terephthalate is also utilized in the production of personal care products, including cosmetics and perfumes, to impart a pleasant scent and improve the texture of the final product. However, it is important to note that prolonged or excessive exposure to dibutyl terephthalate may pose potential health risks, including irritation to the skin, eyes, and respiratory system, as well as potential developmental and reproductive toxicity. Therefore, proper handling and safety measures should be observed when using products that contain dibutyl terephthalate.

Check Digit Verification of cas no

The CAS Registry Mumber 1962-75-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,9,6 and 2 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1962-75:
(6*1)+(5*9)+(4*6)+(3*2)+(2*7)+(1*5)=100
100 % 10 = 0
So 1962-75-0 is a valid CAS Registry Number.
InChI:InChI=1/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

1962-75-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name dibutyl benzene-1,4-dicarboxylate

1.2 Other means of identification

Product number -
Other names EINECS 217-803-9

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1962-75-0 SDS

1962-75-0Synthetic route

propan-1-ol
71-23-8

propan-1-ol

terephthalic acid
100-21-0

terephthalic acid

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
Stage #1: propan-1-ol; terephthalic acid With titanium(IV) isopropylate at 180℃; under 4560.31 Torr; for 3h; Inert atmosphere;
Stage #2: propan-1-ol With toluene-4-sulfonic acid at 200℃; under 4560.31 Torr; for 6h; Reagent/catalyst; Inert atmosphere;
99.6%
terephthalic acid
100-21-0

terephthalic acid

butan-1-ol
71-36-3

butan-1-ol

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
With thionyl chloride Heating;95%
With lead(II) oxide; zinc(II) oxide at 250 - 300℃;
With sulfuric acid
zirconium(IV) oxide at 180℃; for 2h; in autoclave; Yield given;
methyl 4-((2-dimethyl(oxo)-λ6-sulfanylidene)acetyl)benzoate

methyl 4-((2-dimethyl(oxo)-λ6-sulfanylidene)acetyl)benzoate

butan-1-ol
71-36-3

butan-1-ol

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
at 120℃; for 40h; Sealed tube;94%
1,4-benzenedicarboxylic acid dimethyl ester
120-61-6

1,4-benzenedicarboxylic acid dimethyl ester

butan-1-ol
71-36-3

butan-1-ol

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
With Amberlyst 70 resin at 120 - 155℃;92.5%
With potassium n-butoxide
terephthalic acid
100-21-0

terephthalic acid

butan-1-ol
71-36-3

butan-1-ol

A

Terephthalic acid mono-n-butyl ester
1818-06-0

Terephthalic acid mono-n-butyl ester

B

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
With sulfuric acid for 6h; Reflux;A 10%
B 80%
n-Butyl chloride
109-69-3

n-Butyl chloride

terephthalic acid
100-21-0

terephthalic acid

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
With 1,1'-(hexane-1,6-diyl)bis(1,8-diazabicyclo[5.4.0]undec-7-enium) dichlorine In ethanol; water at 70℃; for 3h; Green chemistry;77%
terephthaloyl chloride
100-20-9

terephthaloyl chloride

butan-1-ol
71-36-3

butan-1-ol

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
In toluene75%
Methyl 4-chlorobenzoate
1126-46-1

Methyl 4-chlorobenzoate

n-butyl formate
592-84-7

n-butyl formate

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; catacxium A at 140℃; for 16h; Inert atmosphere;53%
1,4-benzenedicarboxylic acid dimethyl ester
120-61-6

1,4-benzenedicarboxylic acid dimethyl ester

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

2-methyl-propan-1-ol

butan-1-ol
71-36-3

butan-1-ol

A

n-butyl isobutyl terephthalate
1020110-91-1

n-butyl isobutyl terephthalate

B

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

C

diisobutyl terephthalate
18699-48-4

diisobutyl terephthalate

Conditions
ConditionsYield
titanium(IV) isopropylate at 119 - 149℃; for 7h; Product distribution / selectivity; Heating / reflux;
With Amberlyst 70 resin at 120 - 155℃; Overall yield = 91 %; Overall yield = 75.985 g;
di(2-ethylhexyl)terephthalate
6422-86-2

di(2-ethylhexyl)terephthalate

butan-1-ol
71-36-3

butan-1-ol

A

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

B

1-butyl 4-(2-ethylhexyl)terephthalate

1-butyl 4-(2-ethylhexyl)terephthalate

Conditions
ConditionsYield
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;
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

terephthalic acid
100-21-0

terephthalic acid

butan-1-ol
71-36-3

butan-1-ol

A

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

B

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

di(2-ethylhexyl)terephthalate

C

1-butyl 4-(2-ethylhexyl)terephthalate

1-butyl 4-(2-ethylhexyl)terephthalate

Conditions
ConditionsYield
With methanesulfonic acid at 210℃; under 760.051 Torr; for 4h; Inert atmosphere;
terephthalic acid
100-21-0

terephthalic acid

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: methanesulfonic acid / 4 h / 210 °C / 760.05 Torr / Inert atmosphere
2: titanium tetraisopropoxide / 4 h / 160 °C / Inert atmosphere; Large scale
View Scheme
Multi-step reaction with 3 steps
1: titanium tetraisopropoxide / 4.5 h / 170 - 220 °C / 760.05 Torr / Inert atmosphere; Large scale
2: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere
3: titanium tetraisopropoxide / 4 h / 160 °C / Inert atmosphere; Large scale
View Scheme
di(2-ethylhexyl)terephthalate
6422-86-2

di(2-ethylhexyl)terephthalate

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
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
bis(2-propylheptyl)terephthalate

bis(2-propylheptyl)terephthalate

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere
2: titanium tetraisopropoxide / 4 h / 160 °C / Inert atmosphere; Large scale
View Scheme
1,4-benzenedicarboxylic acid dimethyl ester
120-61-6

1,4-benzenedicarboxylic acid dimethyl ester

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

2-methyl-propan-1-ol

butan-1-ol
71-36-3

butan-1-ol

A

n-butyl isobutyl terephthalate
1020110-91-1

n-butyl isobutyl terephthalate

B

methyl n-butyl terephthalate
52392-55-9

methyl n-butyl terephthalate

C

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

D

diisobutyl terephthalate
18699-48-4

diisobutyl terephthalate

E

methyl isobutyl terephthalate

methyl isobutyl terephthalate

Conditions
ConditionsYield
With Amberlyst 36 resin at 120 - 155℃; Overall yield = 90.4 %; Overall yield = 75.484 g;
1,4-benzenedicarboxylic acid dimethyl ester
120-61-6

1,4-benzenedicarboxylic acid dimethyl ester

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

2-methyl-propan-1-ol

butan-1-ol
71-36-3

butan-1-ol

A

n-butyl isobutyl terephthalate
1020110-91-1

n-butyl isobutyl terephthalate

B

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

C

diisobutyl terephthalate
18699-48-4

diisobutyl terephthalate

D

methyl isobutyl terephthalate

methyl isobutyl terephthalate

Conditions
ConditionsYield
With Amberlyst 35 resin at 120 - 140℃; Overall yield = 92.2 %; Overall yield = 76.987 g;
1,4-benzenedicarboxylic acid dimethyl ester
120-61-6

1,4-benzenedicarboxylic acid dimethyl ester

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

2-methyl-propan-1-ol

butan-1-ol
71-36-3

butan-1-ol

A

n-butyl isobutyl terephthalate
1020110-91-1

n-butyl isobutyl terephthalate

B

methyl n-butyl terephthalate
52392-55-9

methyl n-butyl terephthalate

C

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
With Amberlyst 70 resin at 120 - 155℃; Overall yield = 91.3 %; Overall yield = 76.236 g;
1,4-benzenedicarboxylic acid dimethyl ester
120-61-6

1,4-benzenedicarboxylic acid dimethyl ester

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

2-methyl-propan-1-ol

butan-1-ol
71-36-3

butan-1-ol

A

n-butyl isobutyl terephthalate
1020110-91-1

n-butyl isobutyl terephthalate

B

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
With Amberlyst 70 resin at 120 - 155℃; Overall yield = 91.7 %; Overall yield = 76.57 g;
4-Methoxycarbonylbenzoyl chloride
7377-26-6

4-Methoxycarbonylbenzoyl chloride

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium tert-butylate / tetrahydrofuran / 2 h / Inert atmosphere; Reflux
1.2: 3 h / 0 - 20 °C / Inert atmosphere
2.1: 40 h / 120 °C / Sealed tube
View Scheme
di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

butan-1-ol
71-36-3

butan-1-ol

potassium monobutyl terephthalate

potassium monobutyl terephthalate

Conditions
ConditionsYield
With potassium hydroxide In toluene96%
di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

C12H16N2O3

C12H16N2O3

Conditions
ConditionsYield
With hydrazine hydrate In ethanol for 8h; Reflux;87%
2-Ethylhexyl alcohol
104-76-7

2-Ethylhexyl alcohol

di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

A

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

di(2-ethylhexyl)terephthalate

B

1-butyl 4-(2-ethylhexyl)terephthalate

1-butyl 4-(2-ethylhexyl)terephthalate

Conditions
ConditionsYield
at 140℃; for 5h; Inert atmosphere;
di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

2-propylheptyl 2-ethylhexyl terephthalate

2-propylheptyl 2-ethylhexyl terephthalate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 5 h / 140 °C / Inert atmosphere
2: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere
3: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere
View Scheme
di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

1-butyl 4-(2-ethylhexyl)terephthalate

1-butyl 4-(2-ethylhexyl)terephthalate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 5 h / 140 °C / Inert atmosphere
2: titanium tetraisopropoxide / 4 h / 160 °C / Inert atmosphere; Large scale
View Scheme
di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

bis(2-propylheptyl)terephthalate

bis(2-propylheptyl)terephthalate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 5 h / 140 °C / Inert atmosphere
2: titanium tetraisopropoxide / 5 h / 160 °C / Inert atmosphere
View Scheme
di-n-butyl terephthalate
1962-75-0

di-n-butyl terephthalate

4-(5-mercapto-4-amino-1,3,4-triazole)benzoic acid

4-(5-mercapto-4-amino-1,3,4-triazole)benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: hydrazine hydrate / ethanol / 8 h / Reflux
2.1: potassium hydroxide / ethanol / 12 h / 20 °C
2.2: 18 h / 100 °C
View Scheme

1962-75-0Relevant articles and documents

Mechanistic insight into the synergistic Cu/Pd-catalyzed carbonylation of aryl iodides using alcohols and dioxygen as the carbonyl source

Li, Junxuan,Zhou, Jinlei,Wang, Yumei,Yu, Yue,Liu, Qiang,Yang, Tilong,Chen, Huoji,Cao, Hua

, p. 68 - 74 (2021/11/16)

Pd-catalyzed carbonylation, as an efficient synthetic approach to the installation of carbonyl groups in organic compounds, has been one of the most important research fields in the past decade. Although elegant reactions that allow highly selective carbonylations have been developed, straightforward routes with improved reaction activity and broader substrate scope remain long-term challenges for new practical applications. Here, we show a new type of synergistic Cu/Pd-catalyzed carbonylation reaction using alcohols and dioxgen as the carbonyl sources. A broad range of aryl iodides and alcohols are compatible with this protocol. The reaction is concise and practical due to the ready availability of the starting materials and the scalability of the reaction. In addition, the reaction affords lactones and lactams in an intermolecular fashion. Moreover, DFT calculations have been performed to study the detailed mechanisms. [Figure not available: see fulltext.]

PLASTICIZER COMPOSITION AND RESIN COMPOSITION INCLUDING THE SAME

-

Paragraph 0068, (2021/05/07)

A plasticizer composition and a resin composition including the same. The plasticizer composition includes a terephthalate-based material including a mixture of dibutyl terephthalate, butyl(2-ethylhexyl) terephthalate and di(2-ethylhexyl) terephthalate; and a glyceride-based material. The plasticizer composition has improved physical properties such as tensile strength, elongation rate and modulus and also has excellent properties attributable to the inclusion of a terephthalate-based material, such as excellent transmittance, transparency and migration loss properties.

Synthesis of Esters from Stable and Convenient Sulfoxonium Precursors under Catalyst- And Additive-Free Conditions

Wu, Xiao-Feng,Yuan, Yang

, p. 1820 - 1824 (2019/09/09)

A convenient and efficient procedure for the construction of esters from stable sulfoxonium ylides and alcohols has been developed. This protocol presents a broad substrate scope and good yields of the desired esters can be isolated. Notably, no catalyst, oxidant, base or any other additive is required.

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