Name: Ethanethiol
SKU: 75-08-1

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Pharmaceutical (19)
Organic Chemicals (5)
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Basic Information

Molecular Structure:
CAS No.:	75-08-1
Name:	Ethanethiol
Article Data:	325

Formula:	C₂H₆S
Molecular Weight:	62.1356
Synonyms:	Ethylhydrosulfide;Ethyl mercaptan;Ethyl thioalcohol;Mercaptoethane;NSC 93877;Thioethanol;Thioethyl alcohol;
EINECS:	200-837-3
Density:	0.822 g/cm³
Melting Point:	-148 °C
Boiling Point:	34.663 °C at 760 mmHg
Flash Point:	1 °F
Appearance:	colourless liquid
Hazard Symbols:	F; Xn;N
Risk Codes:	11-20-50/53
Safety:	16-25-60-61
Transport Information:	UN 2363 3/PG 1
PSA:	38.80000
LogP:	0.93610

Synthetic route

: 98773-05-8, 115958-66-2
trichlorogallium * ethanethiol

: 60-29-7
diethyl ether

A: 2700-40-5
galliumtrichloride * diethylether

B: 75-08-1
ethanethiol

Conditions

Conditions	Yield
In benzene under inert gas; 5.88 mmol Et2O added to 5.88 mmol of the Ga compound in benzene; stirring at room temp.; 2 phases sepd.; oily phase stirred with n-pentane and dried in vac.; elem. anal.;	A 99% B n/a

...Expand

: 94627-22-2
(n-C3H7)2BSC2H5

A: 28872-72-2
(amino)di-n-propylborane

B: 75-08-1
ethanethiol

Conditions

Conditions	Yield
With NH3	A 98.5% B n/a

: 129137-38-8
3α-(1,1-Bisethylthioethyl)-3β-hydroxy-14α-methyl-4-nor-5α-cholest-8-ene

A: 129137-44-6
3α-(1-Ethylthioethenyl)-3β-hydroxy-14α-methyl-4-nor-5α-cholest-8-ene

B: 75-08-1
ethanethiol

Conditions

Conditions	Yield
With copper(l) chloride In N,N-dimethyl-formamide at 50℃; for 0.166667h;	A 98% B n/a
With copper(l) chloride In N,N-dimethyl-formamide at 50℃; for 0.166667h; other substrates;	A 98% B n/a

: 98773-05-8, 115958-66-2
trichlorogallium * ethanethiol

: 3908-55-2
Trimethyl(methylthio)silane

A: 75-77-4
chloro-trimethyl-silane

B: dichloro(ethylthio)gallane

C: dichloro(methylthio)gallane

D: 74-93-1
methylthiol

E: 75-08-1
ethanethiol

Conditions

Conditions	Yield
In benzene 4.62 mmol Me3SiSMe added to 4.62 mmol of the Ga compound in benzene; stirring at room temp.; filtration; solvent removed in vac.; elem. anal. (Cl2GaSC2H5);	A n/a B 98% C n/a D n/a E n/a

...Expand

: 98773-05-8, 115958-66-2
trichlorogallium * ethanethiol

: 35029-96-0
lead bis(methylthiolate)

A: dichloro(ethylthio)gallane

B: dichloro(methylthio)gallane

C: 74-93-1
methylthiol

D: 75-08-1
ethanethiol

E: lead(II) chloride

Conditions

Conditions	Yield
In benzene 2.10 mmol Pb(SCH3)2 added to 4.20 mmol of the Ga compound in benzene; stirring at room temp.; filtration; solvent removed in vac.; residue washed with n-pentane and dried in vac.; elem. anal. (Cl2GaSC2H5);	A 98% B n/a C n/a D n/a E n/a

...Expand

: 83962-17-8
isopentyl-dithiocarbamic acid ethyl ester

A: 628-03-5
isopentyl isothiocyanate

B: 75-08-1
ethanethiol

Conditions

Conditions	Yield
at 250 - 260℃;	A 97% B n/a

: 129137-47-9
3β-(1,1-Bisethylthioethyl)-3α-hydroxy-14α-methyl-4-nor-5β-cholest-8-ene

A: 129137-50-4
3β-(1-Ethylthioethenyl)-3-α-hydroxy-14α-methyl-4-nor-5β-cholest-8-ene

B: 75-08-1
ethanethiol

Conditions

Conditions	Yield
With copper(l) chloride In N,N-dimethyl-formamide at 50℃; for 0.166667h;	A 97% B n/a

: 130474-23-6
(3R,5S,8R,9S,10S,13R,14S,17R)-3-(1,1-Bis-ethylsulfanyl-ethyl)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol

A: 130474-27-0
(3R,5S,8R,9S,10S,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-3-(1-ethylsulfanyl-vinyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol

B: 75-08-1
ethanethiol

Conditions

Conditions	Yield
With copper(l) chloride In N,N-dimethyl-formamide at 50℃; for 0.166667h;	A 97% B n/a

: 74-93-1
methylthiol

: 74-85-1
ethene

A: 75-18-3
dimethylsulfide

B: 624-89-5
Ethyl methyl sulfide

C: 352-93-2
diethyl sulphide

D: 75-08-1
ethanethiol

Conditions

Conditions	Yield
With 2,2-dimethoxy-2-phenylacetophenone at 45℃; under 2250.23 - 6750.68 Torr; for 14.1h; UV-irradiation;	A n/a B 97% C n/a D n/a

...Expand

: 98773-05-8, 115958-66-2
trichlorogallium * ethanethiol

: 75-18-3
dimethylsulfide

A: 15171-34-3
galliumtrichloride * dimethylsulfide

B: 75-08-1
ethanethiol

Conditions

Conditions	Yield
In benzene under inert gas; 6.30 mmol Et2S added to 6.30 mmol of the Ga compound in benzene; stirring at room temp.; 2 phases sepd.; oily phase stirred with n-pentane and dried in vac.; elem. anal.;	A 97% B n/a

...Expand

Raw Materials

141-78-6

5674-02-2

103-72-0

925-90-6

107-21-1

123-42-2

542-90-5

594-44-5

Downstream Products

288-32-4

1918-77-0

59-49-4

768-66-1

23687-25-4

251-41-2

74-99-7

10035-10-6

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- China (Mainland)(25)
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Consensus Reports

ETHYL MERCAPTAN is reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 0.5 ppm
ACGIH TLV: TWA 0.5 ppm
DFG MAK: 0.5 ppm (1.3 mg/m³)
NIOSH REL: (n-Alkane Mono Thiols) CL 0.5 ppm/15M
DOT Classification: 3; Label: Flammable Liquid; DOT Class: 6.1; Label: Poison, Flammable Liquid

Specification

The Ethanethiol, with the CAS registry number 75-08-1 and EINECS registry number 200-837-3, has the systemtic name and IUPAC name of ethanethiol. It is a kind of colourless liquid with a strongly disagreeable odor which resembles that of leeks or onions. And the molecular formula of this chemical is C₂H₆S.What's more ,Its systematic name is Ethanethiol.The presence of S in the structure leads to many different properties, most notably the infamous odour of EtSH. And it is also more volatile than ethanol because of a diminished ability to engage in hydrogen bonding. Therefore, it it can be added to otherwise odourless gas products such as liquefied petroleum gas (LPG) to help warn of gas leaks, of course, it is not harmful at these concentrations.

The physical properties of Ethanethiol are as followings:
(1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.442; (4)ACD/LogD (pH 7.4): 1.441; (5)ACD/BCF (pH 5.5): 7.339; (6)ACD/BCF (pH 7.4): 7.333; (7)ACD/KOC (pH 5.5): 144.953; (8)ACD/KOC (pH 7.4): 144.847; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.8 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 19.211 cm³; (15)Molar Volume: 75.597 cm³; (16)Polarizability: 7.616×10^-24cm³; (17)Surface Tension: 21.924 dyne/cm; (18)Density: 0.822 g/cm³; (19)Enthalpy of Vaporization: 26.79 kJ/mol; (20)Boiling Point: 34.663 °C at 760 mmHg; (21)Vapour Pressure: 537.074 mmHg at 25°C.

Preparation of Ethanethiol:
It can be prepared by absolute ethyl alcohol, fuming sulfuric acid and sodium hydrosulfide.
C₂H₅OH+H₂SO₄^.SO₃→C₂H₅OSO₂OH+H₂SO₄2C₂H₅OSO₂OH+Na₂CO₃→2C₂H₅OSO₂ONa+H₂O+CO₂↑
C₂H₅OSO₂ONa+NaSH→C₂H₅SH+Na₂SO₄

Uses of Ethanethiol:
It is often used as pesticide intermediates and air alert. And it is also used as stabilizer in the adhesives and intermediates in organic synthesis.

Safety information of Ethanethiol:
You should be cautious while dealing with this chemical. It is a kind of flammble chemcial which is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. It is also harmful by inhalation. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Avoid contact with eyes; This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: CCS
(2)InChI: InChI=1/C2H6S/c1-2-3/h3H,2H2,1H3
(3)InChIKey: DNJIEGIFACGWOD-UHFFFAOYAW

The toxicity data of Ethanethiol is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	2770ppm/4H (2770ppm)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS	American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat	LC50	inhalation	4420ppm/4H (4420ppm)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: CYANOSIS	American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat	LD50	intraperitoneal	226mg/kg (226mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat	LD50	oral	682mg/kg (682mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS	American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

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Consensus Reports

Standards and Recommendations

Specification