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Cas Database |
| Name |
Ethylene glycol diacetate |
EINECS | 203-881-1 |
| CAS No. | 111-55-7 | Density | 1.086 g/cm3 |
| PSA | 52.60000 | LogP | 0.11260 |
| Solubility | 160 g/L (20 ºC) in water | Melting Point |
-41 ºC |
| Formula | C6H10O4 | Boiling Point | 190.9 ºC at 760 mmHg |
| Molecular Weight | 146.143 | Flash Point | 82.8 ºC |
| Transport Information | N/A | Appearance | clear liquid |
| Safety | 26-36-24/25-22 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, Xn
|
| Synonyms |
1,2-Ethanediol,diacetate (9CI);Ethylene glycol, diacetate (6CI,8CI);1,2-Diacetoxyethane;1,2-Ethanediyl diacetate;Aptex Donor H-plus;Ethanediol diacetate;Ethyleneacetate;Ethylene diacetate;Ethylene diethanoate;Glycol diacetate;NSC 8853;Novaset NH;Novaset NH Medium Hardener; |
Article Data | 142 |
Ethylene glycol diacetate Synthetic route
| Conditions | Yield |
|---|---|
| zirconium(IV) oxide at 180℃; for 2h; in autoclave; | 100% |
| With 1-(3-sulfonic acid)propylimidazole bisulfate ([Ps-im]HSO4) supported silica In cyclohexane at 150℃; under 760.051 Torr; for 5h; Pressure; Temperature; Time; | 99.61% |
| With sulfonated charcoal In benzene for 5h; Heating; | 95% |
| Conditions | Yield |
|---|---|
| With H-Y zeolite at 60℃; for 2h; | 100% |
| With sodium hydroxide for 0.0194444h; microwave irradiation; | 99% |
| With SiO2-supported Co(II) Salen complex catalyst at 50℃; for 0.833333h; | 99% |
| Conditions | Yield |
|---|---|
| With carbon monoxide; hydrogen; acetic acid; methyl iodide at 176℃; under 15001.5 - 61506.2 Torr; for 7.5h; Reagent/catalyst; Autoclave; Inert atmosphere; | |
| With carbon monoxide; hydrogen; acetic acid; methyl iodide at 176℃; under 15001.5 - 54005.4 Torr; for 8h; Reagent/catalyst; Autoclave; Inert atmosphere; | |
| With carbon monoxide; hydrogen; acetic acid; methyl iodide at 175℃; under 1500.15 - 54755.5 Torr; for 8h; Reagent/catalyst; Autoclave; Inert atmosphere; |
- 79-20-9
acetic acid methyl ester
- 64-19-7
acetic acid
- 74-88-4
methyl iodide
- 111-55-7
ethylene glycol diacetate
| Conditions | Yield |
|---|---|
| With carbon monoxide; hydrogen at 173℃; under 51005.1 Torr; for 8h; Temperature; Pressure; Inert atmosphere; Autoclave; Industrial scale; | |
| With carbon monoxide; hydrogen at 177℃; under 56255.6 Torr; for 7.5h; Temperature; Pressure; Inert atmosphere; Autoclave; Industrial scale; |
| Conditions | Yield |
|---|---|
| With H+-mont In neat (no solvent) at 160℃; for 2h; Reagent/catalyst; Time; | 89 %Chromat. |
| Conditions | Yield |
|---|---|
| tetrabutyl phosphonium bromide at 150℃; under 20 Torr; g.l.p.t.c.; | 55% |
| With iron(II) sulfate at 200 - 240℃; | |
| With pyridine at 175℃; auch in Gegenwart von aliphatischen Aminen; |
- 143314-17-4
1-ethyl-3-methylimidazolium acetate
- 107-06-2
1,2-dichloro-ethane
A
- 111-55-7
ethylene glycol diacetate
B
- 65039-09-0
1-ethyl-3-methyl-1H-imidazol-3-ium chloride
| Conditions | Yield |
|---|---|
| at 70℃; for 3h; Inert atmosphere; | A 90% B n/a |
- 143314-17-4
1-ethyl-3-methylimidazolium acetate
- 106-93-4
ethylene dibromide
A
- 111-55-7
ethylene glycol diacetate
B
- 65039-08-9
3-ethyl-1-methyl-1H-imidazol-3-ium bromide
| Conditions | Yield |
|---|---|
| at 20℃; for 3h; Inert atmosphere; | A 90% B n/a |
- 79-20-9
acetic acid methyl ester
- 201230-82-2
carbon monoxide
- 64-19-7
acetic acid
- 74-88-4
methyl iodide
- 111-55-7
ethylene glycol diacetate
| Conditions | Yield |
|---|---|
| With hydrogen at 200℃; under 15001.5 - 75007.5 Torr; for 10h; Temperature; Reagent/catalyst; Pressure; Autoclave; |
- 201230-82-2
carbon monoxide
- 30345-49-4
tetra-n-butylphosphonium acetate
A
- 79-20-9
acetic acid methyl ester
B
- 542-59-6
2-hydroxyethyl acetate
C
- 111-55-7
ethylene glycol diacetate
D
- 107-21-1
ethylene glycol
| Conditions | Yield |
|---|---|
| With hydrogen; ruthenium(IV) oxide at 220℃; under 326800 Torr; Yield given. Further byproducts given. Yields of byproduct given; |
Ethylene glycol diacetate Consensus Reports
Ethylene glycol diacetate Specification
The Ethylene glycol diacetate, with the CAS registry number 111-55-7, is also known as Ethylene diacetate. It belongs to the product category of Organics. Its EINECS registry number is 203-881-1. This chemical's molecular formula is C6H10O4 and molecular weight is 146.14. What's more, both its IUPAC name and systematic name are the same which is called 2-Acetyloxyethyl acetate.
Physical properties about Ethylene glycol diacetate are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 52.6 Å2; (6)Index of Refraction: 1.41; (7)Molar Refractivity: 33.39 cm3; (8)Molar Volume: 134.5 cm3; (9)Surface Tension: 32.1 dyne/cm; (10)Density: 1.086 g/cm3; (11)Flash Point: 82.8 °C; (12)Enthalpy of Vaporization: 42.71 kJ/mol; (13)Boiling Point: 190.9 °C at 760 mmHg; (14)Vapour Pressure: 0.529 mmHg at 25 °C.
Preparation of Ethylene glycol diacetate: this chemical can be prepared by Acetic acid anhydride with Ethane-1,2-diol. This reaction needs reagent montmorillonite KSF and solvent CHCl3 at temperature of 62 °C. The reaction time is 2 hours. The yield is 76 %.
Uses of Ethylene glycol diacetate: (1) it is used as solvent, it also can be used in organic synthesis; (2) it is used to produce other chemicals. For example, it can be used to produce 1-Acetoxy-2-chloro-ethane. The reaction occurs with reagent HCl at temperature of 30-50 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should avoid contacting with skin, eyes and wear suitable protective clothing. The gas can not be breathed. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)OCCOC(=O)C
(2) InChI: InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3
(3) InChIKey: JTXMVXSTHSMVQF-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 4940mg/kg (4940mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES | Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941. |
| mouse | LD50 | intraperitoneal | 1190mg/kg (1190mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 338, 1947. | |
| rabbit | LD50 | skin | 8480uL/kg (8.48mL/kg) | Union Carbide Data Sheet. Vol. 6/6/1969, | |
| rat | LD50 | oral | 6850mg/kg (6850mg/kg) | Union Carbide Data Sheet. Vol. 6/6/1969, |
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