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| CAS No.: | 105-37-3 |
|---|---|
| Name: | Ethyl propionate |
| Article Data: | 249 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C5H10O2 |
| Molecular Weight: | 102.133 |
| Synonyms: | Propionate dethyle [French];Propionic ester;Propionic acid, ethyl ester;Propionic ether;Ethyl propionate (natural);Ethylester kyseliny propionove [Czech];Propionate dethyle;FEMA No. 2456;Ethyl propanoate;Ethyl Propionat;Ethyl Propionate , Natural;Natural Ethyl Propionate;Ethyl Propionate Natural;Ethylpropionate;Ethyl propionate/Nat.; |
| EINECS: | 203-291-4 |
| Density: | 0.891 g/cm3 |
| Melting Point: | -73 °C(lit.) |
| Boiling Point: | 95.9 °C at 760 mmHg |
| Flash Point: | 12.2 °C |
| Solubility: | 25 g/L (15 °C) |
| Appearance: | Colourless liquid with a fruity, rum-like, ethereal odour |
| Hazard Symbols: |
 F
|
| Risk Codes: | 11 |
| Safety: | 16-23-24-29-33 |
| Transport Information: | UN 1195 3/PG 2 |
| PSA: | 26.30000 |
| LogP: | 0.95950 |
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Ethyl propionate
| Conditions | Yield |
|---|---|
| With lithium cyanide In tetrahydrofuran for 2h; Product distribution; Heating; | 100% |
| at 100℃; |
| Conditions | Yield |
|---|---|
| With Dowex 50W×2 hydrogen form resin at 107 - 110℃; Reagent/catalyst; Autoclave; Large scale; | 99.13% |
| With iron(III) sulfate; sulfuric acid for 2h; Heating; | 96% |
| With polymer supported sulfonated magnetic resin In toluene at 20 - 70℃; for 0.75h; | 88% |
| Conditions | Yield |
|---|---|
| at 120℃; for 24h; | 98% |
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Ethyl 2-bromopropionate
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Ethyl propionate
| Conditions | Yield |
|---|---|
| With water; lithium diisopropyl amide In tetrahydrofuran 1) -78 deg C, 30 min 2) 30 min; | 98% |
| With DMBI In diethyl ether for 2h; Heating; | 90% |
| With tert-Butyl peroxybenzoate; tri-n-butylphosphine-borane complex In chlorobenzene at 110℃; for 1h; | 90% |
| Conditions | Yield |
|---|---|
| With 1,4-diaza-bicyclo[2.2.2]octane for 0.0666667h; | 95% |
| Conditions | Yield |
|---|---|
| With 1H-imidazole In neat (no solvent) at 115℃; for 0.0666667h; Temperature; Wavelength; Microwave irradiation; | 91% |
| Conditions | Yield |
|---|---|
| With [MgBr](1+)*[n-Bu2SnBrIH](1-) In tetrahydrofuran at 20℃; for 0.5h; | 90% |
| With 1,3-dimethyl-2-imidazolidinone; Dimethylphenylsilane In [D3]acetonitrile at 80℃; for 10h; | 85% |
| With hydrogen In ethanol at 25℃; under 15001.5 Torr; for 12h; regioselective reaction; | 81% |
| Conditions | Yield |
|---|---|
| With 3-(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl-1-(2,4,6-trimethylphenyl)-1H-imidazol-3-ium iodine salt; caesium carbonate In toluene at 60℃; for 3h; | 84% |
| With C22H29N2O(1+)*I(1-); caesium carbonate In toluene at 60℃; for 3h; | 84% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In chloroform at 20℃; for 14h; Baeyer-Villiger oxidation; | 82% |
| With dihydrogen peroxide; acetic acid In toluene at 70℃; for 6h; | 36.8% |
| With Candida antarctica lipase; dihydrogen peroxide; n-tetradecanoic acid In toluene for 144h; | 20 % Chromat. |
| Conditions | Yield |
|---|---|
| With N-benzyl-trimethylammonium hydroxide In dimethyl sulfoxide at 80℃; for 4h; Decarboxylation; | 79% |
| With zinc(II) chloride | |
| With platinum at 200℃; Hydrogenation; | |
| Multi-step reaction with 2 steps 1: potassium hydroxide / ethanol / 72 h / 20 °C 2: 1H-imidazole / neat (no solvent) / 0.07 h / 115 °C / Microwave irradiation View Scheme |
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
The IUPAC name of this chemical is Ethyl propionate. With the CAS registry number 105-37-3 and EINECS registry number 203-291-4, it is also named as propanoic acid, ethyl ester. In addition, the molecular formula is C5H10O2. It is the ethyl ester of propionic acidand. It is used for various natural and synthetic resin solvents. Besides, it is also used for synthetic organic intermediates in the production of antimalarial medicine.
Physical properties about this chemical are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.15; (5)ACD/BCF (pH 7.4): 5.15; (6)ACD/KOC (pH 5.5): 112.56; (7)ACD/KOC (pH 7.4): 112.56; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.387; (12)Molar Refractivity: 26.98 cm3; (13)Molar Volume: 114.5 cm3; (14)Polarizability: 10.69 ×10-24cm3; (15)Surface Tension: 24.8 dyne/cm; (16)Density: 0.891 g/cm3; (17)Flash Point: 12.2 °C; (18)Enthalpy of Vaporization: 33.55 kJ/mol; (19)Boiling Point: 95.9 °C at 760 mmHg; (20)Vapour Pressure: 44.5 mmHg at 25°C.
Preparation of Ethyl propionate: it can be prepared by ethanol and propanoic acid. Add ethanol and propanoic acid into the reactor at first. Then add calcium chloride into the mixture with stirring. This reaction should reflux for 10 hours by heating and stirring. And then after a series of distillation, washing by sodium carbonate solution, drying and distillation again you can get the desired product.
Uses of Ethyl propionate: it can be used for food flavoring agents. And it can react with ethane-1,2-diol to get propionic acid-(2-hydroxy-ethyl ester) and 1,2-bis-propionyloxy-ethane. This reaction will need catalyst Dowex 50W and solvent octane. The reaction time is 4 hours at reaction temperature of 100 °C. The yield is about 81%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. During using it, you should not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). And you should avoid contact with skin. In addition, you can keep away from sources of ignition - No smoking. Moreover, you can not empty it into drains. You should take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC
(2)InChI: InChI=1/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3
(3)InChIKey: FKRCODPIKNYEAC-UHFFFAOYAW
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1158mg/kg (1158mg/kg) | Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 18, Pg. 109, 1960. | |
| rabbit | LDLo | skin | 14256mg/kg (14256mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 174, 1992. |
| rat | LD50 | intraperitoneal | 1200mg/kg (1200mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 749, 1978. | |
| rat | LD50 | oral | 8732mg/kg (8732mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES GASTROINTESTINAL: OTHER CHANGES | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 174, 1992. |
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