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109-94-4

Basic Information
CAS No.: 109-94-4
Name: Ethyl formate
Article Data: 254
Cas Database
Molecular Structure:
Molecular Structure of 109-94-4 (Ethyl formate)
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: FlammableF,HarmfulXn
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
Synthetic route
64-18-6

formic acid

454-31-9

ethyl difluoroacetate

A

381-73-7

Difluoroacetic acid

B

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
sulfuric acid at 70℃; Product distribution / selectivity;A 96%
B n/a
539-88-8

4-oxopentanoic acid ethyl ester

122-51-0

orthoformic acid triethyl ester

A

92557-39-6

ethyl 4,4-diethoxypentanoate

B

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
With toluene-4-sulfonic acid In ethanol at 145℃; ketalization;A 94%
B n/a
64-17-5

ethanol

150760-95-5

formic acid cyanomethyl ester

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
With 1H-imidazole for 24h; Ambient temperature;93%
With 1H-imidazole Yield given;
122-51-0

orthoformic acid triethyl ester

A

74-96-4

ethyl bromide

B

1825-62-3

ethyl trimethylsilyl ether

C

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
With chloro-trimethyl-silane; sodium bromide for 2h; Product distribution; Heating; Me3SiBr generated in situ;A n/a
B n/a
C 92%
64-17-5

ethanol

39689-37-7

sodium salt of β-mercaptonaphthalene

A

32551-87-4

ethyl 2-naphthyl sulfide

B

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
With carbon monoxide at 150℃; under 75006 Torr; for 21h;A 90%
B n/a
109-92-2

ethyl vinyl ether

A

50-00-0

formaldehyd

B

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
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.
79-22-1

methyl chloroformate

82833-74-7

dibutyl (diethoxymethyl)phosphine

A

75-00-3

chloroethane

B

112499-32-8

dibutyl(methoxycarbonyl)phosphine

C

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
In diethyl ether for 4h; Heating;A n/a
B 85%
C n/a
85233-91-6

tris(2-diphenylphosphanylethyl)aminerhodium(I) hydride

623-49-4

ethyl cyanoformate

118681-53-1

N(CH2CH2P(C6H5)2)3RhCN

B

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
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%
78-39-7

Triethyl orthoacetate

107-18-6

allyl alcohol

A

64-17-5

ethanol

B

1968-40-7

ethyl 4-pentenoate

C

C9H18O3

D

141-78-6

ethyl acetate

E

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
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
64-18-6

formic acid

866-23-9

diethyl (trichloromethyl)phosphonate

109-94-4

formic acid ethyl ester

Conditions
ConditionsYield
at 120℃; for 24h;82%
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    Product Name:Natural Ethyl formate CAS: 109-94-4 MF: C3H6O2 MW: 74.08 EINECS: 203-721-0 Purity:95% FEMA:2434 mp 80 °C(lit.) bp 52-54 °C(lit.) density 0.921 g/mL at 20 …

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    Melting point: −80 °C(lit.) Boiling point: 52-54 °C(lit.) Density 0.921 g/mL at 20 °C(lit.) vapor density 2.5 (vs air) vapor pressure 15.16 psi ( 55 °C) FEMA 2434 |

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    Established in 1943 as one of the national largest manufacturing and exporting bases in the chemical synthetic pharmaceuticals field, Shandong Xinhua Pharmaceutical Company Limited

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 100 ppm
DFG MAK: 100 ppm (310 mg/m3)
DOT Classification:  3; Label: Flammable Liquid

Analytical Methods

For occupational chemical analysis use NIOSH: Ethyl Formate S36.

Specification

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.