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Basic Information
| CAS No.: | 554-12-1 |
|---|---|
| Name: | Methyl propionate |
| Molecular Structure: | |
|
|
|
| Formula: | C4H8O2 |
| Molecular Weight: | 88.1063 |
| Synonyms: | Propionicacid, methyl ester (8CI);Methyl propanoate;Methylpropylate;NSC 9375; |
| EINECS: | 209-060-4 |
| Density: | 0.898 g/cm3 |
| Melting Point: | -88 °C |
| Boiling Point: | 67.9 °C at 760 mmHg |
| Flash Point: | 6.1 °C |
| Solubility: | 5 g/100 mL at 20 °C in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 F,  Xn
|
| Risk Codes: | 11-20 |
| Safety: | 16-24-29-33 |
| Transport Information: | UN 1248 3/PG 2 |
| PSA: | 26.30000 |
| LogP: | 0.56940 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With boron trifluoride at 65℃; for 0.333333h; | 100% |
| With Dowex 50W×2 hydrogen form at 103 - 108℃; Reagent/catalyst; Autoclave; Large scale; | 98.6% |
| With bis(acetylacetonato)dioxidomolybdenum(VI) for 8h; Heating; | 72% |
- 292638-85-8
acrylic acid methyl ester
- 554-12-1
propanoic acid methyl ester
Conditions
| Conditions | Yield |
|---|---|
| With hydrogen; palladium(II) complex of ferrocenylamine sulfide (2) In acetone under 4137.2 Torr; for 0.25h; or with catalyst 3, 0.75 h; | 100% |
| With [Ir(1-(1′-methylpyrazole)-3-(4′-methylphenyl)triazenide)Cp*Cl]; isopropyl alcohol at 90℃; for 6h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Glovebox; | 99% |
| With tetrahydroxydiboron; water; sodium hydrogencarbonate In tetrahydrofuran at 60℃; for 8h; Inert atmosphere; | 99% |
- 74-85-1
ethene
- 201230-82-2
carbon monoxide
- 771476-64-3
trans-[Pd(COEt)(OTs)(PPh3)2]
B
- 554-12-1
propanoic acid methyl ester
- 1478674-03-1
[Pd(COEt)(PPh3)3](TsO)
Conditions
| Conditions | Yield |
|---|---|
| at -80.16 - 49.84℃; under 3000.3 Torr; for 0.0133333h; | A 0.1% B 100% C n/a |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With methanesulfonic acid; palladium diacetate; bis(phosphaadamantyl)diphosphine at 90℃; | 99% |
| With α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; palladium dichloride at 80℃; under 15001.5 - 22502.3 Torr; for 20h; Reagent/catalyst; Pressure; Inert atmosphere; Autoclave; | 99% |
| With bis(acetylacetonato)palladium(II); 1,1’-ferrocenediyl-bis(tert-butyl(pyridin-2-yl)phosphine); toluene-4-sulfonic acid at 80℃; for 0.166667h; Catalytic behavior; Reagent/catalyst; Temperature; Autoclave; Inert atmosphere; | 99% |
...Expand
- 67-56-1
methanol
- 771476-64-3
trans-[Pd(COEt)(OTs)(PPh3)2]
- 201230-82-2
carbon monoxide
- 771476-65-4
trans-[Pd(COOMe)(OTs)(PPh3)2]
B
- 554-12-1
propanoic acid methyl ester
Conditions
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid; triphenylphosphine In methanol Pd complex, (0.1 mmol) reacted with MeOH containing PPh3 (0.1 mmol) + p-toluenesulfonic acid (0.1 mmol) satd. with CO (ca. 20 min); pptd. with cold H2O; suspn. filtered; ppt. washed with cold H2O; dried (vac.); | A 90% B 99% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With palladium diacetate; toluene-4-sulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene at 100℃; under 3750.38 Torr; for 20h; Inert atmosphere; Autoclave; regioselective reaction; | 99% |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With triethylamine at 160℃; for 5h; Autoclave; Green chemistry; | 98% |
| With diiron nonacarbonyl at 180℃; for 1h; Sealed tube; |
Conditions
| Conditions | Yield |
|---|---|
| With tetrahydroxydiboron; water; sodium hydrogencarbonate In methanol at 80℃; for 12h; | 98% |
- 67-56-1
methanol
- 40424-08-6
1,1'-(2-oxoimidazolidine-1,3-diyl)bis(propan-1-one)
A
- 120-93-4
imidazolidone
B
- 554-12-1
propanoic acid methyl ester
Conditions
| Conditions | Yield |
|---|---|
| With C17H23BN2O at 50℃; under 760.051 Torr; for 15h; Inert atmosphere; chemoselective reaction; | A 97% B n/a |
...Expand
- 67-56-1
methanol
- 40424-08-6
1,1'-(2-oxoimidazolidine-1,3-diyl)bis(propan-1-one)
A
- 554-12-1
propanoic acid methyl ester
B
- 55150-33-9
1-propionyl-2-oxo-imidazolidine
Conditions
| Conditions | Yield |
|---|---|
| With C17H23BN2O at 25℃; under 760.051 Torr; for 0.25h; Inert atmosphere; chemoselective reaction; | A n/a B 96% |
...Expand
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Methyl propionate
Chemistry
The molecular formula of METHYL PROPIONATE(554-12-1) is C4H8O2 and its formula weight is 88.12g/mol.The appearance of METHYL PROPIONATE(554-12-1) is colourless and ruit flavor liquid.Its EINECS is 209-060-4.Its liansport information is UN 1248.The density of METHYL PROPIONATE(554-12-1) is 0.915 g/mL at 25 °C(lit.) and it has a melting point of -88 °C .The boiling point is 79 °C(lit.).The refractive index is about n20/D 1.376(lit.) and molar refractivity is 22.35 cm3.Its flash point is 43 °F and the vapor pressure is 40 mm Hg ( 11 °C).Molar volume is 98 cm3 and polarizability is 8.86 10-24cm3.Surface tension is 23.5 dyne/cm and enthalpy of vaporization is 32.24 kJ/mol.METHYL PROPIONATE(554-12-1) has the property of being dissolved in alcohols, ethers, hydrocarbons and other organic solvents, slightly soluble in water. The solubility of METHYL PROPIONATE(554-12-1) is 5 g/100 mL at 20 °C in water.
The chemical synonyms of METHYL PROPIONATE(554-12-1) are C2H5COOCH3;femanumber2742;Methyl ester of propanoic acid;Methylester kyseliny propionove;methylesterkyselinypropionove;Propionate de methyle;propionatedemethyle and propionatedemethyle(french).Its product categories is Organics;Analytical Chemistry;Fatty Acid Methyl Esters (GC Standard);Standard Materials for GC;FAMEs;Fatty AcidsAlphabetic;Lipid Analytical Standards;M;META - METHSaturated fatty acids and derivatives;Methyl EstersFA/FAME/Lipids/Steroids;Neats&Single Component Solutions;Other Lipid Related Products;C2 to C5Saturated fatty acids and derivatives;Carbonyl Compounds;Esters;Methyl Esters;Alphabetical Listings;Flavors and Fragrances and M-N. The molecular structure of METHYL PROPIONATE(554-12-1) is
.
The chemical synonyms of METHYL PROPIONATE(554-12-1) are C2H5COOCH3;femanumber2742;Methyl ester of propanoic acid;Methylester kyseliny propionove;methylesterkyselinypropionove;Propionate de methyle;propionatedemethyle and propionatedemethyle(french).Its product categories is Organics;Analytical Chemistry;Fatty Acid Methyl Esters (GC Standard);Standard Materials for GC;FAMEs;Fatty AcidsAlphabetic;Lipid Analytical Standards;M;META - METHSaturated fatty acids and derivatives;Methyl EstersFA/FAME/Lipids/Steroids;Neats&Single Component Solutions;Other Lipid Related Products;C2 to C5Saturated fatty acids and derivatives;Carbonyl Compounds;Esters;Methyl Esters;Alphabetical Listings;Flavors and Fragrances and M-N. The molecular structure of METHYL PROPIONATE(554-12-1) is
.Uses
It can be used in medicine, pesticides and intermediates of perfume .
Production
It is derived from the esterification of propionic acid with methanol : CH3CH2COOH + CH3OH → CH3CH2COOCH3 + H2O
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTOD7 Food and Chemical Toxicology. 20 (Suppl)(1982),765. | ||
| 2. | orl-rat LD50:5 g/kg | FCTOD7 Food and Chemical Toxicology. 20 (Suppl)(1982),765. | ||
| 3. | orl-mus LD50:3460 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 18 (3)(1974),48. | ||
| 4. | ihl-mus LC50:27 g/m3 | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 18 (3)(1974),48. | ||
| 5. | orl-rbt LDLo:2550 mg/kg | AMIHAB AMA Archives of Industrial Health. 21 (1960),100. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. Mildly toxic by inhalation. A skin irritant. A very dangerous fire hazard when exposed to heat, flame, or oxidizers. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. It is flammable, dangerous fire risk, explosive limits in air 2.5–13%. Hazard codes is 
F,Xn . Risk codes is R11;R20. Safety description is S16;S24;S29;S33.
F,Xn . Risk codes is R11;R20. Safety description is S16;S24;S29;S33.Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
Its extinguishing agents is dry powder, dry sand, carbon dioxide, foam and 1211 extinguishing agent.