Conditions | Yield |
---|---|
With C28H41NOP2Ru; hydrogen In 1,4-dioxane at 135℃; under 15001.5 Torr; for 36h; Autoclave; | A 99 %Spectr. B 95% |
methyl crotonate
S-hexyl ethanethioate
A
Hexanethiol
Conditions | Yield |
---|---|
With borohydride exchange resin-Pd In methanol at 65℃; for 2h; | A 0.05 mmol B 93% |
Conditions | Yield |
---|---|
With crotonic acid methyl ester; borohydride exchange resin-Pd In methanol at 65℃; for 2h; | A 0.05 mmol B 93% |
Conditions | Yield |
---|---|
With tetraphosphorus decasulfide In toluene for 1h; Reflux; | 93% |
Conditions | Yield |
---|---|
With tetra-butylammonium bis(1,2-benzenedithiolate)nickel; tetrabutylammonium perchlorate In dichloromethane for 3h; Time; Reagent/catalyst; Electrolysis; | 74% |
(1-Hexylsulfanyl-butoxy)-trimethyl-silane
Hexanethiol
Conditions | Yield |
---|---|
With potassium fluoride In methanol Ambient temperature; | 69% |
Conditions | Yield |
---|---|
With 1-(2-hydroxyethyl)-4,6-diphenylpyridin-2-thione In benzene at 20℃; for 24h; | 69% |
n-butyllithium
2-n-pentyl-1,3-dithiolane
A
Hexanethiol
B
butyl hexyl sulfide
C
Decane-5-thiol
Conditions | Yield |
---|---|
In diethyl ether; hexane at 25℃; for 4h; | A 2% B 7% C 67% D 22% |
2-n-pentyl-1,3-dithiolane
A
Hexanethiol
B
butyl hexyl sulfide
C
Decane-5-thiol
Conditions | Yield |
---|---|
With n-butyllithium In diethyl ether; hexane at 25℃; for 4h; | A 2% B 7% C 67% D 22% |
Conditions | Yield |
---|---|
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 |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; cesium fluoride In water; acetonitrile at 50℃; for 2.5h; | 36% |
Conditions | Yield |
---|---|
With hydrogen sulfide; acetone im UV; |
Conditions | Yield |
---|---|
With hydrogen sulfide; tetraethyllead(IV) im UV; | |
With hydrogen sulfide; tetraethyllead(IV) im UV-Licht; | |
With hydrogen sulfide; acetone im UV-Licht; |
Conditions | Yield |
---|---|
With hydrogen sulfide at 150℃; im Rohr und Hydrieren des Reaktionsprodukts in Gegenwart von Kobaltsulfid bei 175grad und 154 at; |
Conditions | Yield |
---|---|
With potassium iodide und man kocht das Reaktionsprodukts mit KSH; |
Conditions | Yield |
---|---|
With potassium hydroxide |
dimethyl-dithiocarbamic acid hexyl ester
Hexanethiol
Conditions | Yield |
---|---|
With sodium hydroxide |
Conditions | Yield |
---|---|
With water Zersetzen der entstandenen Isothioharnstoffsalze mir siedender waessriger KOH oder NaOH; | |
With water Zersetzen der entstandenen Isothioharnstoffsalze mir siedender waessriger KOH oder NaOH; |
Conditions | Yield |
---|---|
With hydrogen bromide | |
With hydrogen bromide Zersetzen der entstandenen Isothioharnstoffsalze mir siedender waessriger KOH oder NaOH; |
Conditions | Yield |
---|---|
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
Hexanethiol
Conditions | Yield |
---|---|
With 2-hydroxyethanethiol Equilibrium constant; |
1-tert-Butylsulfanyl-hexane
A
Isobutane
B
hexane
C
Hexanethiol
D
dihexyl disulfide
E
tert-butyl 1-hexyl disulfide
F
2-methylpropan-2-thiol
Conditions | Yield |
---|---|
With hydrogen In acetone at -78℃; under 3 Torr; for 0.0666667h; Mechanism; regioselectivity; |
A
1-methyl-1-propanethiol
B
Hexanethiol
C
sec-butyl disulfide
D
dihexyl disulfide
Conditions | Yield |
---|---|
With hydrogen In acetone at -78℃; under 3 Torr; for 0.0166667h; Product distribution; Mechanism; regioselectivity; |
1-[((E)-But-2-enyl)sulfanyl]-hexane
A
Hexanethiol
B
butyl hexyl sulfide
Conditions | Yield |
---|---|
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. |
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
With sodium In various solvent(s) at 254℃; for 8h; | A 90 % Chromat. B 5 % Chromat. |
1-hexene
hydrogen sulfide
tetraethyllead(IV)
A
Hexanethiol
B
hexyl sulfide
Conditions | Yield |
---|---|
Irradiation; |
Hexanethiol
N,N-dimethyl-5,7-bis(trifluoroacetyl)-8-quinolylamine
Conditions | Yield |
---|---|
In acetonitrile for 24h; Substitution; Heating; | 100% |
Hexanethiol
Trichloroacetyl chloride
trichlorothioacetic acid S-hexyl ester
Conditions | Yield |
---|---|
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
Hexanethiol
Conditions | Yield |
---|---|
With trifluoroacetic acid at 20℃; for 2h; | 100% |
Conditions | Yield |
---|---|
With copper(l) iodide In tetrahydrofuran at 80℃; for 12h; stereoselective reaction; | 100% |
3-bromo-1H-pyrrole-2,5-dione
Hexanethiol
3-(hexylsulfanyl)-1H-pyrrole-2,5-dione
Conditions | Yield |
---|---|
With sodium acetate In methanol under 760.051 Torr; for 0.0833333h; | 100% |
Conditions | Yield |
---|---|
2,2'-azobis(isobutyronitrile) at 80℃; for 5h; Inert atmosphere; | 99.3% |
Hexanethiol
dihexyl disulfide
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
at -10℃; | 99% |
Hexanethiol
thiophenol
Bromoacetaldehyde diethyl acetal
hexylmercaptoacetaldehyde diethyl acetal
Conditions | Yield |
---|---|
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
3-hydroxy-3-methyl-1-cyano-1-butyne
Conditions | Yield |
---|---|
With triethylamine In methanol at 20 - 25℃; for 3h; Addition; | 99% |
Conditions | Yield |
---|---|
With copper(I) oxide; copper; potassium carbonate In 2-ethoxy-ethanol at 130℃; for 12h; | 99% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
2,2'-azobis(isobutyronitrile) at 80℃; for 5h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
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; |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With triethylamine In chloroform for 0.5h; Michael Addition; | 99% |
Hexanethiol
Conditions | Yield |
---|---|
In 1,4-dioxane Reflux; Molecular sieve; | 99% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With C39H60N4O4; yttrium(III) trifluoromethanesulfonate In dichloromethane at -60℃; for 3h; enantioselective reaction; | 99% |
Conditions | Yield |
---|---|
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
4-hydroxy-4-methylhex-2-ynenitrile
Conditions | Yield |
---|---|
With triethylamine In methanol at 20 - 25℃; for 3h; Addition; | 98% |
Conditions | Yield |
---|---|
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
3-oxo-hexane-1-sulfonic acid pentafluorophenyl ester
1-hexylsulfanyl-hexan-3-one
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With C30H32Cl3N4Ni2(1+)*Cl(1-); potassium hydroxide In 1,4-dioxane at 40℃; for 6h; Reagent/catalyst; | 98% |
Conditions | Yield |
---|---|
With C30H32Cl3N4Ni2(1+)*Cl(1-); potassium hydroxide In 1,4-dioxane at 40℃; for 6h; Reagent/catalyst; | 98% |
Conditions | Yield |
---|---|
With C30H32Cl3N4Ni2(1+)*Cl(1-); potassium hydroxide In 1,4-dioxane at 40℃; for 6h; Reagent/catalyst; | 98% |
Conditions | Yield |
---|---|
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 |
Conditions | Yield |
---|---|
With {[(t-Bu)2POH][(t-Bu)2P(O(1-)]PdCl}2; sodium t-butanolate In toluene at 110℃; | 97% |
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 cm3
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. | 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. |
Reported in EPA TSCA Inventory.
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
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)
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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