CAS No.554-12-1,Propanoic acid, methylester Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	554-12-1
Name:	Propanoic acid, methylester
Article Data:	249
Cas Database

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

Synthetic route

: 67-56-1
methanol

: 802294-64-0
propionic acid

: 554-12-1
propanoic acid methyl ester

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

: [PdH(PPh3)3](TsO)

: 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

: 67-56-1
methanol

: 74-85-1
ethene

: 201230-82-2
carbon monoxide

: 554-12-1
propanoic acid methyl ester

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

: 67-56-1
methanol

: 50-00-0
formaldehyd

: 74-85-1
ethene

: 554-12-1
propanoic acid methyl ester

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

: 802294-64-0
propionic acid

: 616-38-6
carbonic acid dimethyl ester

: 554-12-1
propanoic acid methyl ester

Conditions

Conditions	Yield
With triethylamine at 160℃; for 5h; Autoclave; Green chemistry;	98%
With diiron nonacarbonyl at 180℃; for 1h; Sealed tube;

: 922-67-8
propynoic acid methyl ester

: 554-12-1
propanoic acid methyl ester

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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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 cm³and 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

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.

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.