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Cas Database

Name	ETHYL ISOCYANATE	EINECS	203-717-9
CAS No.	109-90-0	Density	0.87 g/cm³
PSA	29.43000	LogP	0.34210
Solubility	insoluble in water	Melting Point	<-50
Formula	C₃H₅NO	Boiling Point	60 °C at 760 mmHg
Molecular Weight	71.0788	Flash Point	23 °C
Transport Information	UN 2481 3/PG 1	Appearance	Colorless liquid
Safety	16-26-36/37/39-45	Risk Codes	11-20/21-25-36/37/38-42
Molecular Structure		Hazard Symbols	F, T
Synonyms	Isocyanicacid, ethyl ester (6CI,8CI);Isocyanatoethane;NSC 89687;	Article Data	87

ETHYL ISOCYANATE Synthetic route

: 32315-10-9
bis(trichloromethyl) carbonate

: 75-04-7
ethylamine

: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
With triethylamine In dichloromethane	100%

: 75-44-5
phosgene

: 75-04-7
ethylamine

: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
In toluene at 320 - 340℃; under 37.5038 Torr; Temperature;	97.6%

: 542-85-8
Ethyl isothiocyanate

: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
With air; palladium dichloride In 1,4-dioxane Heating;	89%

: 6135-31-5
methyl N-ethylcarbamate

: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
With Phenyltrichlorosilane at 100 - 155℃; for 0.5h;	87.3%

: 41891-13-8
ethyl carbamoyl chloride

: 111-27-3
hexan-1-ol

A: 67821-25-4
N-ethyl-carbamic acid hexyl ester

B: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
In 1,2-dichloro-benzene	A n/a B 81%

: 41891-13-8
ethyl carbamoyl chloride

: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
In chlorobenzene	77%
With N,N-dimethyl-aniline
With triethylamine at 40℃; for 0.333333h; Yield given;
With triethylamine In Dimethyldisulphide at 0 - 5℃; pH=8 - 8.5;

: 621-04-5
1-ethyl-3-phenylurea

A: (Dichloro-phenyl-silanyl)-phenyl-amine

B: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
With Phenyltrichlorosilane at 160 - 205℃; for 1h;	A n/a B 72.5%

: 19265-06-6
ethyl (chloroformyl)methyl carbamate

: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
With aluminium trichloride at 193 - 220℃; for 0.5h;	64.3%

: 61031-53-6
3-ethyl-4-hydroxy-5,5-dimethyl-4-phenyl-oxazolidin-2-one

A: 769-60-8
2-methyl-1-phenylprop-2-en-1-one

B: 7473-98-5
2-hydroxy-2-methylpropiophenone

C: 3155-01-9
3-hydroxy-3-phenyl-butan-2-one

D: 109-90-0
ethyl isocyanate

Conditions

Conditions	Yield
In benzene at 550℃;	A 41% B 14% C 45% D 44%

: 186581-53-3, 908094-01-9
diazomethane

: N-nitro-N'-ethyl-urea

: 109-90-0
ethyl isocyanate

ETHYL ISOCYANATE Chemical Properties

1.IUPAC Name: Isocyanatoethane
2.Synonyms：Ethyl isocyanate ; Isocyanic acid ethyl ester ; 1-Isocyanatoethane ; C₂H₅NCO ; Ethane,isocyanato- ; Isocyanated’ethyle ; Isocyanato-ethan ; Isocyanatoethane
3.The Molecular formula of Ethyl isocyanate (109-90-0) : C₃H₅NO
4.The Molecular Weight of Ethyl isocyanate (109-90-0) : 71.08 g/mol
5.The Molecular Structure of Ethyl isocyanate (109-90-0) ：
6.Density: 0.898 g/mL at 25 °C(lit.)
7.Boiling point: 60 °C(lit.)
8.Flash point: 20 °F
9.Solubility in water: Insoluble
10.Refractive index (nD): 1.381(lit.)
11.Appearance: colorless liquid
12.Storage temp: 2-8°C
13.vapor pressure: 209 mmHg at 25°C

ETHYL ISOCYANATE Uses

Ethyl isocyanate (109-90-0) is used to make pharmaceuticals and pesticides.

ETHYL ISOCYANATE Toxicity Data With Reference

1.		mmo-sat 50 µg/plate ABCHA6 44,3017,80
2.		ivn-mus LD50:56 mg/kg		CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02910 .

ETHYL ISOCYANATE Consensus Reports

Reported in EPA TSCA Inventory.

ETHYL ISOCYANATE Safety Profile

Poison by intravenous route. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NO_x. See also CYANATES.
Hazard Codes F,T
F: Highly Flammable
T: Toxic
Risk Statements: 11-20/21-25-36/37/38-42
R11: Highly Flammable
R20/21: Harmful by inhalation and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
R42: May cause sensitization by inhalation
Safety Statements 16-26-36/37/39-45
S16: Keep away from sources of ignition - No smoking
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
WGK Germany: 3

ETHYL ISOCYANATE Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid, Poison; DOT Class: 6.1; Label: Poison; DOT Class: 6.1; Label: Poison, Flammable Liquid; DOT Class: 3; Label: Flammable Liquid, Poison

ETHYL ISOCYANATE Specification

Ethyl isocyanate (109-90-0) may react with water to produce a corrosive liquid and carbon dioxide gas.

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