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Basic Information
| CAS No.: | 4074-90-2 |
|---|---|
| Name: | ADIPIC ACID DIVINYL ESTER |
| Molecular Structure: | |
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|
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| Formula: | C10H14 O4 |
| Molecular Weight: | 198.219 |
| Synonyms: | Adipicacid, divinyl ester (6CI,7CI,8CI); Hexanedioic acid, diethenyl ester (9CI);Divinyl adipate; Divinyl hexanedioate |
| Density: | 1.039g/cm3 |
| Melting Point: | 28 °C |
| Boiling Point: | 261.1°Cat760mmHg |
| Flash Point: | 122.2°C |
| Safety: | Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 52.60000 |
| LogP: | 1.92020 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With sulfuric acid; mercury(II) diacetate for 4h; Reflux; Inert atmosphere; | 52% |
| With mercury(II) sulfate | |
| With sulfuric acid; mercury(II) diacetate; copper diacetate at 70℃; | |
| With mercury(II) sulfate |
Conditions
| Conditions | Yield |
|---|---|
| With potassium fluoride; 18-crown-6 ether In acetonitrile at 40 - 50℃; for 20h; Inert atmosphere; | 48% |
Conditions
| Conditions | Yield |
|---|---|
| With trihexyl(tetradecyl)phosphonium chloride; tetrabutyl-ammonium chloride; copper diacetate; tetrahexylammonium chloride; palladium; copper dichloride In 1,4-dioxane for 21h; Catalytic behavior; High pressure; | 16% |
Conditions
| Conditions | Yield |
|---|---|
| With pyridine |
Conditions
| Conditions | Yield |
|---|---|
| With chloroacetic acid; mercury(II) oxide at 80℃; | |
| rhenium(I) pentacarbonyl chloride In toluene at 140℃; under 15001.5 Torr; for 6h; Product distribution / selectivity; | 96 %Chromat. |
| rhenium In toluene at 160℃; under 15001.5 Torr; for 6h; Product distribution / selectivity; |
Conditions
| Conditions | Yield |
|---|---|
| In xylene for 1h; Heating; |
- 4074-90-2
divinyl adipate
Conditions
| Conditions | Yield |
|---|---|
| With diisopropylamine In chloroform for 12h; Reflux; | 0.15 g |
Conditions
| Conditions | Yield |
|---|---|
| With Thermomyces lanuginosus lipase; potassium carbonate In dimethyl sulfoxide at 50℃; for 0.5h; Flow reactor; Enzymatic reaction; | 99% |
| With D-aminoacylase from Escherichia coli (EC 3.5.1.81) In dimethyl sulfoxide at 50℃; for 96h; | 95% |
| In various solvent(s) at 50℃; for 60h; Markovnikov's addition; | 94% |
- 4074-90-2
divinyl adipate
- 36791-04-5
ribavirin
Conditions
| Conditions | Yield |
|---|---|
| With 1-methyl-1H-imidazole; lipase acrylic resin from Candida antartica In acetone at 50℃; for 4h; | 96% |
| With [bmim]BF4; Candida antarctica lipase acrylic resin In acetone at 50℃; for 12h; | 98.5 % Chromat. |
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ADIPIC ACID DIVINYL ESTER
Chemistry
Hexanedioic acid diethyl ester(4074-90-2)'s molecular formula is C10H18O4 and its formula weight is 202.25.
The density of hexanedioic acid diethyl ester(4074-90-2) is 1.009 and it has a melting point of -18°C. Its Boiling point is 251°C and the refractive index is about 1.426-1.428.
Hexanedioic acid diethyl ester(4074-90-2) has the property of being dissolved in alcohols and ethers, it is not soluble in water.
The molecular structure of hexanedioic acid diethyl ester(4074-90-2) :
The density of hexanedioic acid diethyl ester(4074-90-2) is 1.009 and it has a melting point of -18°C. Its Boiling point is 251°C and the refractive index is about 1.426-1.428.
Hexanedioic acid diethyl ester(4074-90-2) has the property of being dissolved in alcohols and ethers, it is not soluble in water.
The molecular structure of hexanedioic acid diethyl ester(4074-90-2) :
Uses
Hexanedioic acid diethyl ester(4074-90-2) is used as a plasticizer for cellulose acetate, cellulose acetate butyrate and pyroxylin. It is also used as a organic solvent or in organic synthesis.
Toxicity Data With Reference
| 1. | orl-rat LD50:6400 mg/kg | GISAAA Gigiena i Sanitariya. 35 (10)(1970),88. | ||
| 2. | orl-mus LD50:6400 mg/kg | GISAAA Gigiena i Sanitariya. 35 (10)(1970),88. | ||
| 3. | orl-gpg LD50:4300 mg/kg | GISAAA Gigiena i Sanitariya. 35 (10)(1970),88. | ||
| 4. | orl-rbt LD50:4300 mg/kg | GISAAA Gigiena i Sanitariya. 35 (10)(1970),88. |
Safety Profile
Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.