CAS No.109-94-4,Ethyl formate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	109-94-4
Name:	Ethyl formate
Article Data:	254

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

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

Conditions	Yield
sulfuric acid at 70℃; Product distribution / selectivity;	A 96% B n/a

...Expand

: 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

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

...Expand

: 64-17-5
ethanol

: 150760-95-5
formic acid cyanomethyl ester

: 109-94-4
formic acid ethyl ester

Conditions

Conditions	Yield
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

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%

...Expand

: 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

Conditions	Yield
With carbon monoxide at 150℃; under 75006 Torr; for 21h;	A 90% B n/a

...Expand

: 109-92-2
ethyl vinyl ether

A: 50-00-0
formaldehyd

B: 109-94-4
formic acid ethyl ester

Conditions

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.

: 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

Conditions	Yield
In diethyl ether for 4h; Heating;	A n/a B 85% C n/a

...Expand

: 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

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%

...Expand

: 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

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

...Expand

: 64-18-6
formic acid

: 866-23-9
diethyl (trichloromethyl)phosphonate

: 109-94-4
formic acid ethyl ester

Conditions

Conditions	Yield
at 120℃; for 24h;	82%

Raw Materials

111-66-0

108-24-7

590-29-4

7647-01-0

95-92-1

75-87-6

75-91-2

462-95-3

Downstream Products

728-87-0

583-02-8

607-92-1

630-19-3

4114-28-7

491-38-3

19945-14-3

547-65-9

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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.