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Basic Information
| CAS No.: | 1962-75-0 |
|---|---|
| Name: | dibutyl terephthalate |
| Article Data: | 28 |
| Molecular Structure: | |
|
|
|
| Formula: | C16H22 O4 |
| Molecular Weight: | 278.348 |
| Synonyms: | 1,4-Benzenedicarboxylicacid, dibutyl ester (9CI); Terephthalic acid, dibutyl ester (6CI,7CI,8CI);Butyl terephthalate; Dibutyl terephthalate; NSC 6349 |
| Density: | 1.053g/cm3 |
| Melting Point: | 16℃ |
| Boiling Point: | 341.8°Cat760mmHg |
| Flash Point: | 180.2°C |
| Solubility: | 5μg/L at 25℃ |
| Safety: | Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 52.60000 |
| LogP: | 3.60040 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| 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% |
Conditions
| Conditions | Yield |
|---|---|
| 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; |
Conditions
| Conditions | Yield |
|---|---|
| at 120℃; for 40h; Sealed tube; | 94% |
- 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester
- 71-36-3
butan-1-ol
- 1962-75-0
di-n-butyl terephthalate
Conditions
| Conditions | Yield |
|---|---|
| With Amberlyst 70 resin at 120 - 155℃; | 92.5% |
| With potassium n-butoxide |
- 100-21-0
terephthalic acid
- 71-36-3
butan-1-ol
A
- 1818-06-0
Terephthalic acid mono-n-butyl ester
B
- 1962-75-0
di-n-butyl terephthalate
Conditions
| Conditions | Yield |
|---|---|
| With sulfuric acid for 6h; Reflux; | A 10% B 80% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| 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% |
Conditions
| Conditions | Yield |
|---|---|
| In toluene | 75% |
Conditions
| Conditions | Yield |
|---|---|
| With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; catacxium A at 140℃; for 16h; Inert atmosphere; | 53% |
- 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester
- 78-83-1
2-methyl-propan-1-ol
- 71-36-3
butan-1-ol
A
- 1020110-91-1
n-butyl isobutyl terephthalate
B
- 1962-75-0
di-n-butyl terephthalate
C
- 18699-48-4
diisobutyl terephthalate
Conditions
| Conditions | Yield |
|---|---|
| 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; |
...Expand
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
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dibutyl terephthalate
Chemistry
MF: C16H22O4
MW: 278.34348
EINECS: 217-803-9
Mol File: 1962-75-0.mol
The structure of DIBUTYLTEREPHTHALATE is:
Toxicity Data With Reference
Ipr-mus LDLo:1392 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 56 (1967),1446. |
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition DIBUTYLTEREPHTHALATE emits acrid smoke and irritating vapors.