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Ethanethiol

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Name

Ethanethiol

EINECS 200-837-3
CAS No. 75-08-1 Density 0.822 g/cm3
PSA 38.80000 LogP 0.93610
Solubility N/A Melting Point -148 °C
Formula C2H6S Boiling Point 34.663 °C at 760 mmHg
Molecular Weight 62.1356 Flash Point 1 °F
Transport Information UN 2363 3/PG 1 Appearance colourless liquid
Safety 16-25-60-61 Risk Codes 11-20-50/53
Molecular Structure Molecular Structure of 75-08-1 (Ethanethiol) Hazard Symbols FlammableF; HarmfulXn;DangerousN
Synonyms

Ethylhydrosulfide;Ethyl mercaptan;Ethyl thioalcohol;Mercaptoethane;NSC 93877;Thioethanol;Thioethyl alcohol;

Article Data 325

Ethanethiol 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
ConditionsYield
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
94627-22-2

(n-C3H7)2BSC2H5

A

28872-72-2

(amino)di-n-propylborane

B

75-08-1

ethanethiol

Conditions
ConditionsYield
With NH3A 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
ConditionsYield
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
ConditionsYield
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
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
ConditionsYield
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
83962-17-8

isopentyl-dithiocarbamic acid ethyl ester

A

628-03-5

isopentyl isothiocyanate

B

75-08-1

ethanethiol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
98773-05-8, 115958-66-2

trichlorogallium * ethanethiol

75-18-3

dimethylsulfide

A

15171-34-3

galliumtrichloride * dimethylsulfide

B

75-08-1

ethanethiol

Conditions
ConditionsYield
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

Ethanethiol Consensus Reports

ETHYL MERCAPTAN is reported in EPA TSCA Inventory.

Ethanethiol 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

Ethanethiol 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+H2SO4
2C2H5OSO2OH+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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