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| CAS No.: | 110-33-8 |
|---|---|
| Name: | Dihexyl adipate |
| Article Data: | 11 |
| Molecular Structure: | |
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|
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| Formula: | C18H34 O4 |
| Molecular Weight: | 314.466 |
| Synonyms: | Adipicacid, dihexyl ester (6CI,7CI,8CI); Hexanedioic acid, dihexyl ester (9CI);Dihexyl adipate; Dihexyl hexanedioate; Plastomoll DHA |
| EINECS: | 203-757-7 |
| Density: | 0.945 g/cm3 |
| Boiling Point: | 351.3 °C at 760 mmHg |
| Flash Point: | 157.5 °C |
| Appearance: | white crystal powder |
| Safety: | Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 52.60000 |
| LogP: | 4.79380 |
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| Conditions | Yield |
|---|---|
| With Fe(SO4)3 * xH2O for 1h; Heating; | 95% |
| With pyrographite; toluene-4-sulfonic acid for 0.0111111h; Esterification; Ring cleavage; Microwave irradiation (600 W); | 92% |
| With toluene-4-sulfonic acid; xylene | |
| at 150 - 155℃; | |
| With [AlMo6]Anderson-type heteropolyacid at 120℃; for 12h; |
| Conditions | Yield |
|---|---|
| With palladium(II) trifluoroacetate; toluene-4-sulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene In toluene at 120℃; under 30003 Torr; for 24h; Autoclave; Green chemistry; regioselective reaction; | 73% |
| With palladium(II) trifluoroacetate; HeMaRaphos; toluene-4-sulfonic acid In toluene at 120℃; under 30003 Torr; for 24h; regioselective reaction; | 83 %Chromat. |
| Conditions | Yield |
|---|---|
| at 178℃; |
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase immobilized on polyacrylic resin In 1,4-dioxane for 3h; microwave irradiation; Title compound not separated from byproducts; |
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Chemistry
Chemistry informtion about Hexanedioic acid dihexyl ester (110-33-8) is:
IUPAC Name: Dihexyl Hexanedioate
Synonyms: Dihexyl Adipate ; Hexanedioic Acid Dihexyl Ester ; DHA ; DHA
MF: C18H34O4
MW: 314.46
EINECS: 203-757-7
Density: 0.945 g/cm3
Flash Point: 157.5 °C
Boiling Point: 351.3 °C at 760 mmHg
Vapour Pressure: 4.14E-05 mmHg at 25°C
Enthalpy of Vaporization: 59.6 kJ/mol
Following is the molecular structure of Hexanedioic acid dihexyl ester (110-33-8) is:
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Toxicity Data With Reference
| 1. | orl-mus LD50:19,600 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 28 (12)(1984),56. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
Hexanedioic acid dihexyl ester (110-33-8) is a colorless liquid.It can floats on water.
Reactivity Profile: It is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Health Hazard: Exposure can cause irritation of eyes, nose and throat.
Fire Hazard: Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.