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CAS No.: | 109-94-4 |
---|---|
Name: | Ethyl formate |
Article Data: | 254 |
Molecular Structure: | |
Formula: | C3H6O2 |
Molecular Weight: | 74.0794 |
Synonyms: | Areginal;Ethyl methanoate;Methanoic acid ethyl ester;NSC 406578;NSC8828;Ethyl ester of formic acid;Ethylformiat;Formic acid, ethylester; |
EINECS: | 203-721-0 |
Density: | 0.906 g/cm3 |
Melting Point: | -80 °C(lit.) |
Boiling Point: | 54.7 °C at 760 mmHg |
Flash Point: | 7°F |
Solubility: | soluble in water |
Appearance: | colourless liquid with an aromatic odour |
Hazard Symbols: | F,Xn |
Risk Codes: | 11-20/22-36/37 |
Safety: | 9-16-24-26-33 |
Transport Information: | UN 1190 3/PG 2 |
PSA: | 26.30000 |
LogP: | 0.81520 |
formic acid
ethyl difluoroacetate
A
Difluoroacetic acid
B
formic acid ethyl ester
Conditions | Yield |
---|---|
sulfuric acid at 70℃; Product distribution / selectivity; | A 96% B n/a |
4-oxopentanoic acid ethyl ester
orthoformic acid triethyl ester
A
ethyl 4,4-diethoxypentanoate
B
formic acid ethyl ester
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In ethanol at 145℃; ketalization; | A 94% B n/a |
Conditions | Yield |
---|---|
With 1H-imidazole for 24h; Ambient temperature; | 93% |
With 1H-imidazole Yield given; |
orthoformic acid triethyl ester
A
ethyl bromide
B
ethyl trimethylsilyl ether
C
formic acid ethyl ester
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; sodium bromide for 2h; Product distribution; Heating; Me3SiBr generated in situ; | A n/a B n/a C 92% |
ethanol
sodium salt of β-mercaptonaphthalene
A
ethyl 2-naphthyl sulfide
B
formic acid ethyl ester
Conditions | Yield |
---|---|
With carbon monoxide at 150℃; under 75006 Torr; for 21h; | A 90% B n/a |
Conditions | Yield |
---|---|
With ozone at 24.85℃; under 100 Torr; for 0.416667h; Kinetics; | A n/a B 86% |
With dihydrogen peroxide at 98.85℃; under 100 Torr; for 4h; Kinetics; Further Variations:; Temperatures; Pressures; Reagents; Irradiation; | A n/a B 83% |
With ozone at 24.84℃; under 760.051 Torr; Kinetics; Concentration; Time; Gas phase; | A 15 %Chromat. B 80 %Chromat. |
methyl chloroformate
dibutyl (diethoxymethyl)phosphine
A
chloroethane
B
dibutyl(methoxycarbonyl)phosphine
C
formic acid ethyl ester
Conditions | Yield |
---|---|
In diethyl ether for 4h; Heating; | A n/a B 85% C n/a |
tris(2-diphenylphosphanylethyl)aminerhodium(I) hydride
ethyl cyanoformate
N(CH2CH2P(C6H5)2)3RhCN
B
formic acid ethyl ester
Conditions | Yield |
---|---|
In tetrahydrofuran soln. of formate added to stirred suspn. of complex (N2), gently warmed to 40°C (1 h), cooled to room temp.; mixt. of ethanol/n-hexane (1:1) added, concd. (brisk current of N2), sepd., collected on sintered glass frits, washed (EtOH, pentane), dried (N2); | A 71% B 85% |
Triethyl orthoacetate
allyl alcohol
A
ethanol
B
ethyl 4-pentenoate
D
ethyl acetate
E
formic acid ethyl ester
Conditions | Yield |
---|---|
With formic acid at 150℃; for 16h; Reagent/catalyst; Johnson-Claisen Rearrangement; Autoclave; | A n/a B 83% C n/a D n/a E n/a |
Conditions | Yield |
---|---|
at 120℃; for 24h; | 82% |
The Ethyl formate, with the CAS registry number 109-94-4 and EINECS registry number 203-721-0, is a kind of colourless liquid with an aromatic odour. It is moisture sensitive ester, and belongs to the following product categories: Organics; Analytical Chemistry; Solvents for HPLC & Spectrophotometry; Solvents for Spectrophotometry. And the molecular formula of this chemical is C3H6O2.
The physical properties of Ethyl formate are as followings: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.63; (8)ACD/KOC (pH 7.4): 34.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.356; (14)Molar Refractivity: 17.87 cm3; (15)Molar Volume: 81.7 cm3; (16)Polarizability: 7.08×10-24cm3; (17)Surface Tension: 23.5 dyne/cm; (18)Density: 0.906 g/cm3; (19)Enthalpy of Vaporization: 29.91 kJ/mol; (20)Boiling Point: 54.7 °C at 760 mmHg; (21)Vapour Pressure: 242 mmHg at 25°C.
Preparation of Ethyl formate: It can start with esterification of formic acid and ethanol in the presence of catalyst sulphuric acid. And after neutralization and washing, you can get the product.
HCOOH + C2H5OH → HCOOC2H5 + H2O
Uses of Ethyl formate: It is an important intermediates in organic synthesis. It is usually used as the solution for nitro acetyl cellulose and marlspum, and bactericide, fumigant & larvicide for food. It is also used as essence.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates eyes and respiratory system, and it is also harmful by inhalation and if swallowed. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Keep away from sources of ignition - No smoking; Avoid contact with skin; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; Take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)SMILES: O=COCC
(2)InChI: InChI=1/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
(3)InChIKey: WBJINCZRORDGAQ-UHFFFAOYAO
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 1110mg/kg (1110mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: GASTRITIS | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
rabbit | LD50 | oral | 2075mg/kg (2075mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rabbit | LDLo | subcutaneous | 1gm/kg (1000mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 737, 1978. | |
rat | LCLo | inhalation | 8000ppm/4H (8000ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
rat | LD50 | oral | 1850mg/kg (1850mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |