Product Name

  • Name

    1-Hexanethiol

  • EINECS 203-857-0
  • CAS No. 111-31-9
  • Article Data51
  • CAS DataBase
  • Density 0.834 g/cm3
  • Solubility Insoluble in water
  • Melting Point -81 °C
  • Formula C6H14S
  • Boiling Point 152.3 °C at 760 mmHg
  • Molecular Weight 118.243
  • Flash Point 20.6 °C
  • Transport Information UN 1228 3/PG 2
  • Appearance clear coloreless liquid
  • Safety 23-24/25-16
  • Risk Codes 10-20/22
  • Molecular Structure Molecular Structure of 111-31-9 (1-Hexanethiol)
  • Hazard Symbols HarmfulXn
  • Synonyms Hexanethiol(6CI,7CI);1-Hexyl mercaptan;1-Hexylthiol;1-Mercaptohexane;Hexan-1-thiol;Hexyl mercaptan;Hexylthiol;NSC 99106;n-Hexanethiol;n-Hexyl mercaptan;n-Hexylthiol;
  • PSA 38.80000
  • LogP 2.49650

Synthetic route

N-phenylthiocarbamic acid S-hexyl ester

N-phenylthiocarbamic acid S-hexyl ester

A

Hexanethiol
111-31-9

Hexanethiol

B

Formanilid
103-70-8

Formanilid

Conditions
ConditionsYield
With C28H41NOP2Ru; hydrogen In 1,4-dioxane at 135℃; under 15001.5 Torr; for 36h; Autoclave;A 99 %Spectr.
B 95%
S-hexyl ethanethioate
2307-12-2

S-hexyl ethanethioate

A

Hexanethiol
111-31-9

Hexanethiol

B

methyl 3-(hexylthio)butyrate

methyl 3-(hexylthio)butyrate

Conditions
ConditionsYield
With borohydride exchange resin-Pd In methanol at 65℃; for 2h;A 0.05 mmol
B 93%
S-hexyl ethanethioate
2307-12-2

S-hexyl ethanethioate

A

Hexanethiol
111-31-9

Hexanethiol

B

methyl 3-(hexylthio)butyrate

methyl 3-(hexylthio)butyrate

Conditions
ConditionsYield
With crotonic acid methyl ester; borohydride exchange resin-Pd In methanol at 65℃; for 2h;A 0.05 mmol
B 93%
1-hexylthiocyanate
6803-40-3

1-hexylthiocyanate

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With tetraphosphorus decasulfide In toluene for 1h; Reflux;93%
1-hexene
592-41-6

1-hexene

hydrogen sulfide
7783-06-4

hydrogen sulfide

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With tetra-butylammonium bis(1,2-benzenedithiolate)nickel; tetrabutylammonium perchlorate In dichloromethane for 3h; Time; Reagent/catalyst; Electrolysis;74%
(1-Hexylsulfanyl-butoxy)-trimethyl-silane
108781-91-5

(1-Hexylsulfanyl-butoxy)-trimethyl-silane

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With potassium fluoride In methanol Ambient temperature;69%
1-Iodohexane
638-45-9

1-Iodohexane

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With 1-(2-hydroxyethyl)-4,6-diphenylpyridin-2-thione In benzene at 20℃; for 24h;69%
n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

2-n-pentyl-1,3-dithiolane
74585-39-0

2-n-pentyl-1,3-dithiolane

A

Hexanethiol
111-31-9

Hexanethiol

B

butyl hexyl sulfide
16967-04-7

butyl hexyl sulfide

C

Decane-5-thiol
129125-91-3

Decane-5-thiol

D

5-Butylsulfanyl-decane

5-Butylsulfanyl-decane

Conditions
ConditionsYield
In diethyl ether; hexane at 25℃; for 4h;A 2%
B 7%
C 67%
D 22%
2-n-pentyl-1,3-dithiolane
74585-39-0

2-n-pentyl-1,3-dithiolane

A

Hexanethiol
111-31-9

Hexanethiol

B

butyl hexyl sulfide
16967-04-7

butyl hexyl sulfide

C

Decane-5-thiol
129125-91-3

Decane-5-thiol

D

5-Butylsulfanyl-decane

5-Butylsulfanyl-decane

Conditions
ConditionsYield
With n-butyllithium In diethyl ether; hexane at 25℃; for 4h;A 2%
B 7%
C 67%
D 22%
1-bromo-hexane
111-25-1

1-bromo-hexane

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With tetraethylammonium iodide; 1-(2-hydroxyethyl)-4,6-diphenylpyridin-2-thione In acetonitrile for 24h; Ambient temperature;66%
Stage #1: 1-bromo-hexane With thiourea In ethanol for 3h; Heating;
Stage #2: With sodium hydroxide In ethanol for 2h; Heating;
64%
With ethanol; potassium hydrosulfide
allyl n-hexyl sulfide
18365-70-3

allyl n-hexyl sulfide

A

Hexanethiol
111-31-9

Hexanethiol

B

hexyl-propyl sulfide
24768-43-2

hexyl-propyl sulfide

Conditions
ConditionsYield
With hydrogen; (1+)*CH3COO(1-) In N,N-dimethyl-formamide at 80℃; under 3040 Torr; for 2h;A 35%
B 56%
With hydrogen; (1+)*CH3COO(1-) In N,N-dimethyl-formamide at 80℃; under 3040 Torr; for 2h; other catalyst: RuO2*nH2O;A 35%
B 56%
n-hexyl(vinyl)sulfide
18888-20-5

n-hexyl(vinyl)sulfide

A

Hexanethiol
111-31-9

Hexanethiol

B

1-(ethylthio)-hexane
7309-44-6

1-(ethylthio)-hexane

C

acetaldehyde-n-hexyl-mercaptal

acetaldehyde-n-hexyl-mercaptal

Conditions
ConditionsYield
With hydrogen; ruthenium(IV) oxide In methanol at 60℃; under 6080 Torr; for 48h; other catalyst: (1+)*CH3COO(1-);A 40%
B 23%
C 20%
With hydrogen; ruthenium(IV) oxide In methanol at 60℃; under 6080 Torr; for 48h;A 40%
B 23%
C 20%
1-bromo-hexane
111-25-1

1-bromo-hexane

bis(triphenyltin) sulfide
77-80-5

bis(triphenyltin) sulfide

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; cesium fluoride In water; acetonitrile at 50℃; for 2.5h;36%
1-hexene
592-41-6

1-hexene

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With hydrogen sulfide; acetone im UV;
1-hexene
592-41-6

1-hexene

A

Hexanethiol
111-31-9

Hexanethiol

B

hexyl sulfide
6294-31-1

hexyl sulfide

Conditions
ConditionsYield
With hydrogen sulfide; tetraethyllead(IV) im UV;
With hydrogen sulfide; tetraethyllead(IV) im UV-Licht;
With hydrogen sulfide; acetone im UV-Licht;
hexanenitrile
628-73-9

hexanenitrile

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With hydrogen sulfide at 150℃; im Rohr und Hydrieren des Reaktionsprodukts in Gegenwart von Kobaltsulfid bei 175grad und 154 at;
1-Chlorohexane
544-10-5

1-Chlorohexane

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With potassium iodide und man kocht das Reaktionsprodukts mit KSH;
dithiocarbamic acid hexyl ester
6326-16-5

dithiocarbamic acid hexyl ester

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With potassium hydroxide
dimethyl-dithiocarbamic acid hexyl ester
31043-04-6

dimethyl-dithiocarbamic acid hexyl ester

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With sodium hydroxide
1-bromo-hexane
111-25-1

1-bromo-hexane

thiourea
17356-08-0

thiourea

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With water Zersetzen der entstandenen Isothioharnstoffsalze mir siedender waessriger KOH oder NaOH;
With water Zersetzen der entstandenen Isothioharnstoffsalze mir siedender waessriger KOH oder NaOH;
thiourea
17356-08-0

thiourea

hexan-1-ol
111-27-3

hexan-1-ol

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With hydrogen bromide
With hydrogen bromide Zersetzen der entstandenen Isothioharnstoffsalze mir siedender waessriger KOH oder NaOH;
hexan-1-ol
111-27-3

hexan-1-ol

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With phosphorous (V) sulfide; benzene und Erhitzen des Reaktionsprodukts auf 200grad;
Multi-step reaction with 2 steps
1: hydrogen bromide
2: alcohol; KHS
View Scheme
With hydrogen sulfide In water at 500℃;
dihexyl disulfide
10496-15-8

dihexyl disulfide

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With 2-hydroxyethanethiol Equilibrium constant;
1-tert-Butylsulfanyl-hexane
86442-41-3

1-tert-Butylsulfanyl-hexane

A

Isobutane
75-28-5

Isobutane

B

hexane
110-54-3

hexane

C

Hexanethiol
111-31-9

Hexanethiol

D

dihexyl disulfide
10496-15-8

dihexyl disulfide

E

tert-butyl 1-hexyl disulfide
64580-59-2

tert-butyl 1-hexyl disulfide

F

2-methylpropan-2-thiol
75-66-1

2-methylpropan-2-thiol

Conditions
ConditionsYield
With hydrogen In acetone at -78℃; under 3 Torr; for 0.0666667h; Mechanism; regioselectivity;
sec-Butyl n-hexyl disulfide

sec-Butyl n-hexyl disulfide

A

1-methyl-1-propanethiol
513-53-1

1-methyl-1-propanethiol

B

Hexanethiol
111-31-9

Hexanethiol

C

sec-butyl disulfide
5943-30-6

sec-butyl disulfide

D

dihexyl disulfide
10496-15-8

dihexyl disulfide

Conditions
ConditionsYield
With hydrogen In acetone at -78℃; under 3 Torr; for 0.0166667h; Product distribution; Mechanism; regioselectivity;
1-[((E)-But-2-enyl)sulfanyl]-hexane
175603-23-3

1-[((E)-But-2-enyl)sulfanyl]-hexane

A

Hexanethiol
111-31-9

Hexanethiol

B

butyl hexyl sulfide
16967-04-7

butyl hexyl sulfide

Conditions
ConditionsYield
With hydrogen; (1+)*CH3COO(1-) In N,N-dimethyl-formamide at 80℃; under 3040 Torr; for 2h;A 25 % Chromat.
B 66 % Chromat.
With hydrogen; (1+)*CH3COO(1-) In N,N-dimethyl-formamide at 80℃; under 3040 Torr; for 2h; other catalyst: RuO2*nH2O;A 25 % Chromat.
B 66 % Chromat.
hexyl sulfide
6294-31-1

hexyl sulfide

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With hydrogen In acetone at -78℃; under 4 Torr; Mechanism; other alkyl sulfides and alkyl substituted-benzyl sulfides, competition with various alkyl sulfides, rate of disappearance relative to various alkyl sulfides, microwave generation of H from H2, other reagent: atomic deuterium;
1-tert-Butylsulfanyl-hexane
86442-41-3

1-tert-Butylsulfanyl-hexane

A

Hexanethiol
111-31-9

Hexanethiol

B

2-methylpropan-2-thiol
75-66-1

2-methylpropan-2-thiol

Conditions
ConditionsYield
With hydrogen In acetone at -78℃; under 4 Torr; Mechanism; Product distribution; other alkyl sulfides and alkyl substituted-benzyl sulfides, competition with n-hexyl sulfide, reaction rate relative to n-hexyl sulfide, microwave generation of H from H2;
hexyl sulfide
6294-31-1

hexyl sulfide

A

hexane
110-54-3

hexane

B

Hexanethiol
111-31-9

Hexanethiol

Conditions
ConditionsYield
With sodium In various solvent(s) at 254℃; for 8h;A 90 % Chromat.
B 5 % Chromat.
1-hexene
592-41-6

1-hexene

hydrogen sulfide
7783-06-4

hydrogen sulfide

tetraethyllead(IV)
78-00-2

tetraethyllead(IV)

A

Hexanethiol
111-31-9

Hexanethiol

B

hexyl sulfide
6294-31-1

hexyl sulfide

Conditions
ConditionsYield
Irradiation;
Hexanethiol
111-31-9

Hexanethiol

N,N-dimethyl-5,7-bis(trifluoroacetyl)-8-quinolylamine
221636-53-9

N,N-dimethyl-5,7-bis(trifluoroacetyl)-8-quinolylamine

2,2,2-Trifluoro-1-[8-hexylsulfanyl-7-(2,2,2-trifluoro-acetyl)-quinolin-5-yl]-ethanone

2,2,2-Trifluoro-1-[8-hexylsulfanyl-7-(2,2,2-trifluoro-acetyl)-quinolin-5-yl]-ethanone

Conditions
ConditionsYield
In acetonitrile for 24h; Substitution; Heating;100%
Hexanethiol
111-31-9

Hexanethiol

Trichloroacetyl chloride
76-02-8

Trichloroacetyl chloride

trichlorothioacetic acid S-hexyl ester
36061-27-5

trichlorothioacetic acid S-hexyl ester

Conditions
ConditionsYield
for 2h;100%
at 120℃; under 0.367788 Torr; for 2.25h;100%
1,1-bis(ethylsulfanyl)-4-phenyl-2-trifluoromethylbut-1-en-3-yne
1057658-07-7

1,1-bis(ethylsulfanyl)-4-phenyl-2-trifluoromethylbut-1-en-3-yne

Hexanethiol
111-31-9

Hexanethiol

1,1-bis(ethylsulfanyl)-3-hexylsulfanyl-4-phenyl-2-trifluoromethylbuta-1,3-diene

1,1-bis(ethylsulfanyl)-3-hexylsulfanyl-4-phenyl-2-trifluoromethylbuta-1,3-diene

Conditions
ConditionsYield
With trifluoroacetic acid at 20℃; for 2h;100%
N,N-Dimethylpropargylamin
7223-38-3

N,N-Dimethylpropargylamin

Hexanethiol
111-31-9

Hexanethiol

C11H23NS
1373552-05-6

C11H23NS

Conditions
ConditionsYield
With copper(l) iodide In tetrahydrofuran at 80℃; for 12h; stereoselective reaction;100%
3-bromo-1H-pyrrole-2,5-dione
98026-79-0

3-bromo-1H-pyrrole-2,5-dione

Hexanethiol
111-31-9

Hexanethiol

3-(hexylsulfanyl)-1H-pyrrole-2,5-dione
1266664-83-8

3-(hexylsulfanyl)-1H-pyrrole-2,5-dione

Conditions
ConditionsYield
With sodium acetate In methanol under 760.051 Torr; for 0.0833333h;100%
Hexanethiol
111-31-9

Hexanethiol

octakis(vinyldimethylsiloxyl)octasilsesquioxane

octakis(vinyldimethylsiloxyl)octasilsesquioxane

C80H184O20S8Si16

C80H184O20S8Si16

Conditions
ConditionsYield
2,2'-azobis(isobutyronitrile) at 80℃; for 5h; Inert atmosphere;99.3%
Hexanethiol
111-31-9

Hexanethiol

dihexyl disulfide
10496-15-8

dihexyl disulfide

Conditions
ConditionsYield
With (tetrabenzoporphinato)iron(II) In tetrahydrofuran at 20℃; under 760.051 Torr; for 2h;99%
borohydride exchange resin (Amberlit IRA-400); copper(II) sulfate In methanol for 3h; Ambient temperature;98%
With chlorine dioxide In hexane; water at 20℃; for 3h;98%
trichloroethylene epoxide
16967-79-6

trichloroethylene epoxide

Hexanethiol
111-31-9

Hexanethiol

hexyl thiodichloroacetate
87148-45-6

hexyl thiodichloroacetate

Conditions
ConditionsYield
at -10℃;99%
Hexanethiol
111-31-9

Hexanethiol

thiophenol
108-98-5

thiophenol

Bromoacetaldehyde diethyl acetal
2032-35-1

Bromoacetaldehyde diethyl acetal

hexylmercaptoacetaldehyde diethyl acetal
249906-56-7

hexylmercaptoacetaldehyde diethyl acetal

Conditions
ConditionsYield
Stage #1: Hexanethiol; thiophenol With sodium hydride In tetrahydrofuran for 2h; Metallation; Heating;
Stage #2: Bromoacetaldehyde diethyl acetal In tetrahydrofuran for 48h; Condensation; Heating;
99%
Hexanethiol
111-31-9

Hexanethiol

3-hydroxy-3-methyl-1-cyano-1-butyne
32837-87-9

3-hydroxy-3-methyl-1-cyano-1-butyne

(Z)-3-Hexylsulfanyl-4-hydroxy-4-methyl-pent-2-enenitrile

(Z)-3-Hexylsulfanyl-4-hydroxy-4-methyl-pent-2-enenitrile

Conditions
ConditionsYield
With triethylamine In methanol at 20 - 25℃; for 3h; Addition;99%
Hexanethiol
111-31-9

Hexanethiol

2-bromobenzoic-acid
88-65-3

2-bromobenzoic-acid

2-(hexylthio)benzoic acid
15823-57-1

2-(hexylthio)benzoic acid

Conditions
ConditionsYield
With copper(I) oxide; copper; potassium carbonate In 2-ethoxy-ethanol at 130℃; for 12h;99%
Hexanethiol
111-31-9

Hexanethiol

carbon dioxide
124-38-9

carbon dioxide

N-butylamine
109-73-9

N-butylamine

n-butylthiocarbamic acid S-hexyl ester

n-butylthiocarbamic acid S-hexyl ester

Conditions
ConditionsYield
Stage #1: carbon dioxide; N-butylamine In dimethyl sulfoxide at 20℃; for 0.5h;
Stage #2: Hexanethiol With triphenylphosphine; diethylazodicarboxylate In dimethyl sulfoxide at 20℃; for 2.5h; Further stages.;
99%
Hexanethiol
111-31-9

Hexanethiol

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

4-(hexylsulfanyl)benzaldehyde
53606-36-3

4-(hexylsulfanyl)benzaldehyde

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 24h; Inert atmosphere;99%
With potassium carbonate In N,N-dimethyl-formamide at 90℃;54%
Hexanethiol
111-31-9

Hexanethiol

octavinylsilsesquioxane
69655-76-1

octavinylsilsesquioxane

C64H136O12S8Si8
1243549-80-5

C64H136O12S8Si8

Conditions
ConditionsYield
2,2'-azobis(isobutyronitrile) at 80℃; for 5h; Inert atmosphere;99%
Hexanethiol
111-31-9

Hexanethiol

n-hexyl acrylate
2499-95-8

n-hexyl acrylate

C15H30O2S
1236160-83-0

C15H30O2S

Conditions
ConditionsYield
With hexan-1-amine at 20℃; for 3h; Kinetics; Reagent/catalyst; Thio-Michael reaction; Neat (no solvent);99%
With Dimethyl(phenyl)phosphine In neat (no solvent) for 0.5h; Reagent/catalyst; Michael Addition;
Hexanethiol
111-31-9

Hexanethiol

4-methyl-benzaldehyde
104-87-0

4-methyl-benzaldehyde

S-hexyl 4-methylbenzothioate
1450900-45-4

S-hexyl 4-methylbenzothioate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; copper(l) chloride In water at 100℃; for 0.0833333h; Microwave irradiation; Sealed tube;99%
With tert.-butylhydroperoxide; copper(l) chloride In water at 100℃; for 1h; Schlenk technique; Inert atmosphere;89%
N-methylmaleimide
930-88-1

N-methylmaleimide

Hexanethiol
111-31-9

Hexanethiol

C11H19NO2S

C11H19NO2S

Conditions
ConditionsYield
With triethylamine In chloroform for 0.5h; Michael Addition;99%
Hexanethiol
111-31-9

Hexanethiol

C26H36O5

C26H36O5

16-(hexylsulfanyl)-14-hydroxy-20-isopropyl-4,8-dimethyl-15-oxaoctacyclo[11.7.1.03,12.04,9.012,19.014,18.016,21.017,20]heneicosane-8-carboxylic acid

16-(hexylsulfanyl)-14-hydroxy-20-isopropyl-4,8-dimethyl-15-oxaoctacyclo[11.7.1.03,12.04,9.012,19.014,18.016,21.017,20]heneicosane-8-carboxylic acid

Conditions
ConditionsYield
In 1,4-dioxane Reflux; Molecular sieve;99%
Hexanethiol
111-31-9

Hexanethiol

para-bromoacetophenone
99-90-1

para-bromoacetophenone

1-(4-(hexylthio)phenyl)ethan-1-one
93570-39-9

1-(4-(hexylthio)phenyl)ethan-1-one

Conditions
ConditionsYield
With C30H32Cl3N4Ni2(1+)*Cl(1-); potassium hydroxide In 1,4-dioxane at 40℃; for 6h; Reagent/catalyst;99%
With potassium carbonate In water; N,N-dimethyl-formamide at 90℃; for 20h;83%
tert-butyl diphenylmethylsilylglyoxylate

tert-butyl diphenylmethylsilylglyoxylate

Hexanethiol
111-31-9

Hexanethiol

C25H36O3SSi

C25H36O3SSi

Conditions
ConditionsYield
With C39H60N4O4; yttrium(III) trifluoromethanesulfonate In dichloromethane at -60℃; for 3h; enantioselective reaction;99%
Hexanethiol
111-31-9

Hexanethiol

mercury(II) nitrate

mercury(II) nitrate

bis(n-hexanethiolato)mercury(II)
60883-87-6

bis(n-hexanethiolato)mercury(II)

Conditions
ConditionsYield
In ethanol; water the thiol was added to soln. of Hg(NO3)2 in EtOH/H2O in a Schlenk tube; soln. was stirred for 12 h in the dark; ppt. was filtered off, washed with cold EtOH and dried in vacuo;98.4%
Hexanethiol
111-31-9

Hexanethiol

4-hydroxy-4-methylhex-2-ynenitrile
32837-88-0

4-hydroxy-4-methylhex-2-ynenitrile

(Z)-3-Hexylsulfanyl-4-hydroxy-4-methyl-hex-2-enenitrile

(Z)-3-Hexylsulfanyl-4-hydroxy-4-methyl-hex-2-enenitrile

Conditions
ConditionsYield
With triethylamine In methanol at 20 - 25℃; for 3h; Addition;98%
iodobenzene
591-50-4

iodobenzene

Hexanethiol
111-31-9

Hexanethiol

hexyl phenyl sulfide
943-78-2

hexyl phenyl sulfide

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydroxide In water at 50℃; for 24h; Inert atmosphere; Sealed tube; chemoselective reaction;98%
With potassium hydroxide; copper(II) oxide In dimethyl sulfoxide at 80℃; for 7h;91%
With cesium hydroxide In toluene at 110℃; for 4h;85%
Hexanethiol
111-31-9

Hexanethiol

3-oxo-hexane-1-sulfonic acid pentafluorophenyl ester
1117975-44-6

3-oxo-hexane-1-sulfonic acid pentafluorophenyl ester

1-hexylsulfanyl-hexan-3-one
1206821-93-3

1-hexylsulfanyl-hexan-3-one

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 1h;98%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 21℃; for 1h;98%
Hexanethiol
111-31-9

Hexanethiol

(E)-(3,3,3-trifluoro-1-nitroprop-1-en-2-yl)benzene
1422984-99-3

(E)-(3,3,3-trifluoro-1-nitroprop-1-en-2-yl)benzene

C15H20F3NO2S

C15H20F3NO2S

Conditions
ConditionsYield
With 1,1,1,3',3',3'-hexafluoro-propanol; BF4(1-)*C21H22N3O(1+); lithium hexamethyldisilazane In toluene at -40℃; for 6h; Michael Addition; Molecular sieve; Inert atmosphere; enantioselective reaction;98%
Hexanethiol
111-31-9

Hexanethiol

para-nitrophenyl bromide
586-78-7

para-nitrophenyl bromide

p-nitrophenyl n-hexyl thioether
15863-36-2

p-nitrophenyl n-hexyl thioether

Conditions
ConditionsYield
With C30H32Cl3N4Ni2(1+)*Cl(1-); potassium hydroxide In 1,4-dioxane at 40℃; for 6h; Reagent/catalyst;98%
3-Bromothiophene
872-31-1

3-Bromothiophene

Hexanethiol
111-31-9

Hexanethiol

3-(hexysulphanyl)thiophene
120186-61-0

3-(hexysulphanyl)thiophene

Conditions
ConditionsYield
With C30H32Cl3N4Ni2(1+)*Cl(1-); potassium hydroxide In 1,4-dioxane at 40℃; for 6h; Reagent/catalyst;98%
2-bromothiophene
1003-09-4

2-bromothiophene

Hexanethiol
111-31-9

Hexanethiol

2-(hexylsulphanyl)thiophene
6911-41-7

2-(hexylsulphanyl)thiophene

Conditions
ConditionsYield
With C30H32Cl3N4Ni2(1+)*Cl(1-); potassium hydroxide In 1,4-dioxane at 40℃; for 6h; Reagent/catalyst;98%
Hexanethiol
111-31-9

Hexanethiol

4-Nitrophthalonitrile
31643-49-9

4-Nitrophthalonitrile

4-hexylsulfanylphthalonitrile

4-hexylsulfanylphthalonitrile

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide for 20h; Ambient temperature;97%
With potassium carbonate In N,N-dimethyl-formamide
With potassium carbonate In dimethyl sulfoxide
3-Chloropyridine
626-60-8

3-Chloropyridine

Hexanethiol
111-31-9

Hexanethiol

3-(hexylthio)pyridine
100056-23-3

3-(hexylthio)pyridine

Conditions
ConditionsYield
With {[(t-Bu)2POH][(t-Bu)2P(O(1-)]PdCl}2; sodium t-butanolate In toluene at 110℃;97%

1-Hexanethiol Chemical Properties

IUPAC Name: Hexane-1-thiol
CAS: 111-31-9
Formula : C6H14S
Molecular Weight: 118.24
Molecular Structure of Hexane-1-thiol (111-31-9):
 
Melting Point: -81 °C
Density: 0.834 g/cm3 
Flash Point: 20.6 °C
Boiling Point: 152.3 °C at 760 mmHg  
Index of Refraction: 1.445 
Molar Refractivity: 37.74 cm
Molar Volume: 141.6 cm3 
Polarizability: 14.96 ×10-24cm3 
Surface Tension: 26.9 dyne/cm 
Enthalpy of Vaporization: 37.31 kJ/mol 
Vapour Pressure: 4.5 mmHg at 25°C 
Appearance: Colorless liquid with an unpleasant odor.
Water Solubility: 177.1(mg/L) at 25°C 
Product Categories: thiol flavor 

1-Hexanethiol Toxicity Data With Reference

1.    

orl-rat LD50:1254 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 19 (1958),171.
2.    

ihl-rat LC50:1080 ppm/4H

    AIHAAP    American Industrial Hygiene Association Journal. 19 (1958),171.
3.    

ihl-mus LD50:528 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 19 (1958),171.

1-Hexanethiol Consensus Reports

Reported in EPA TSCA Inventory.

1-Hexanethiol Safety Profile

Moderately toxic by inhalation and ingestion. A flammable liquid. When heated to decomposition it emits very toxic fumes of SOx. See also MERCAPTANS.
Safety Information about Hexane-1-thiol (111-31-9):
Hazard Codes: 
Xn: 
Risk Statements  about Hexane-1-thiol (111-31-9):
R10:Flammable.
R20/22: Harmful by inhalation and if swallowed.
Safety Statements about Hexane-1-thiol (111-31-9): 
S23: Toxic by inhalation.
S24/25: Toxic in contact with skin and if swallowed.
S16: Keep away from sources of ignition - No smoking.
F13:  Malodorous.
RIDADR: UN 1228 3/PG 2
WGK Germany: 3
HazardClass: 3
PackingGroup: III

1-Hexanethiol Standards and Recommendations

NIOSH REL: (n-Alkane Mono Thiols) CL 0.5 ppm/15M
DOT Classification:  3; Label: Flammable Liquid, Poison (UN 1228); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3071)

1-Hexanethiol Specification

  Description of the product information
  The chemical synonyms of Hexane-1-thiol  (111-31-9) are1-Hexylthiol ; Hexan-1-thiol ; Hexane-1-thiol ; Hexanethiol ; Hexanethiol(non-specificname) ; Hexanethiolnormal ; Hexylmercaptan(non-specificname) ; Hexylmercaptannormal .
1-Hexanethiol is incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite(Ca(OCl)2) to generate SOx. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.
  Some useful information about the product's operation and storage:May cause eye irritation.May cause skin irritation. May be harmful if absorbed through the skin.Harmful if swallowed. May cause irritation of the digestive tract. May cause nausea and vomiting. Mercaptans may cause nausea and headache.Harmful if inhaled. May cause respiratory tract irritation. Mercaptans may cause nausea and Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Take precautionary measures against static discharges. Avoid ingestion and inhalation. Use only in a chemical fume hood.Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area. Store under nitrogen.

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