Butanethiol supplier | CasNO.109-79-5

Name
1-Butanethiol
EINECS 203-705-3
CAS No. 109-79-5
Article Data120
CAS DataBase
Density 0.84 g/cm³
Solubility Slightly soluble in water
Melting Point -116 °C(lit.)
Formula C₄H₁₀S
Boiling Point 98.2 °C at 760 mmHg
Molecular Weight 90.1894
Flash Point 12.8 °C
Transport Information UN 2347 3/PG 2
Appearance colourless liquid
Safety 16-23-26-36-9-36/37-33
Risk Codes 11-20/22-36/37/38-21/22
Molecular Structure
Hazard Symbols F,Xn
Synonyms 1-Butylmercaptan;1-Mercaptobutane;Butyl mercaptan;Butylthiol;Thiobutyl alcohol;n-Butane-1-thiol;n-Butanethiol;n-Butyl mercaptan;n-Butylthioalcohol;n-Butylthiol;1-Butanethiol;
PSA 38.80000
LogP 1.71630

Synthetic route

: Yb(2+)*2CH3(CH2)3SCO2(1-) = (CH3(CH2)3SCO2)2Yb

A: ytterbium hydroxide

B: 109-79-5
1-butanethiol

C: 124-38-9
carbon dioxide

Conditions

Conditions	Yield
With water In pentane addn. of a mixture (1:3) of water and pentane under Ar at room temperature; removing solvent and volatile compounds (BuSH) by vac. condensation;;	A 100% B 91% C 96%

...Expand

: 109-65-9
1-bromo-butane

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h; Product distribution; other halides, var. temp.;	98%
With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h;	98%
Stage #1: 1-bromo-butane With thiourea In ethanol for 3h; Heating; Stage #2: With sodium hydroxide In ethanol for 2h; Heating;	72%

: 629-45-8
dibutyl disulfide

: 123-38-6
propionaldehyde

A: 109-79-5
1-butanethiol

B: 2432-44-2
butyl thiopropionate

Conditions

Conditions	Yield
at 5℃; for 2.5h; Mechanism; Irradiation; reductive acylation under photochemical conditions; other linear symmetrical disulfides; other aldehydes;	A 87% B 97%
at 5℃; for 2.5h; Irradiation;	A 87% B 97%

...Expand

: 124-09-4
1,6-Hexanediamine

: bis(butylthio)-(3-methylbutyl) borane

A: (C5H11BNH(CH2)6NH)4

B: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
at 40-45°C, boran:amine mol ratio 1:1;	A 95% B n/a

...Expand

: 83962-23-6
Cyclohexyl-dithiocarbamic acid butyl ester

A: 109-79-5
1-butanethiol

B: 1122-82-3
isothiocyanatocyclohexane

Conditions

Conditions	Yield
at 250 - 260℃;	A 93% B 92%

: 542-69-8
1-iodo-butane

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With hydrosulfide exchange resin In acetonitrile at 0℃; for 0.25h;	93%

: 83962-20-3
butyl ethyldithiocarbamate

A: 109-79-5
1-butanethiol

B: 542-85-8
Ethyl isothiocyanate

Conditions

Conditions	Yield
at 250 - 260℃;	A 92% B 87%

: 629-45-8
dibutyl disulfide

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With sodium hydrogen telluride In ethanol 1.) 0 deg C, 2.) 40 deg C, 30 min;	91%
With triisopropoxyborohydride In tetrahydrofuran at 25℃; for 5h;	81%
With sodium tetrahydroborate; lithium chloride In tetrahydrofuran at 0 - 35℃;	60%

: 19911-91-2
n-Butyl-N-phenylthioformimidat

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With hydrogenchloride In water Ambient temperature;	90%

: 124-09-4
1,6-Hexanediamine

: bis(butylthio)-(3-methylbutyl) borane

A: NH2(CH2)6NH(C5H11BNH(CH2)6NH)4H

B: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
at 40-45°C, boran:amine mol ratio 1:2 M;	A 87% B n/a

...Expand

: 52372-89-1
Diphenylthiophosphinsaeure-S-n-butylester

A: 109-79-5
1-butanethiol

B: 1707-03-5
diphenyl-phosphinic acid

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 2h; Ambient temperature;	A n/a B 85%

: 109-69-3
n-Butyl chloride

: 107-96-0
3-mercaptopropionic acid

A: 109-79-5
1-butanethiol

B: 544-40-1
Dibutyl sulfide

C: 22002-73-9
3-(butylthio)propionic acid

D: 121118-59-0
butyl 3-(butylthio)propanoate

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 140℃; for 0.166667h; microwave irradiation; Further byproducts.;	A n/a B n/a C 83% D n/a

...Expand

: 592-35-8
butyl carbamate

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With tetraphosphorus decasulfide In toluene for 2h; Reflux;	76%

: 109-69-3
n-Butyl chloride

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With tetraethylammonium iodide; 1-(2-hydroxyethyl)-4,6-diphenylpyridin-2-thione In acetonitrile for 28h; Ambient temperature;	65%
With magnesium hydroxide; water; sodium disulfide und anschliessend mit Natriumhydrogensulfid und Natriumsulfit;

: 53431-27-9
dibutyl dimethylamidothiophosphite

: 16311-94-7
cis-3-azido-1,4-diphenylazetidin-2-one

A: 109-79-5
1-butanethiol

: C21H28N3O2PS

Conditions

Conditions	Yield
With water In benzene for 24h; Ambient temperature;	A n/a B 48%

...Expand

: 5943-36-2
dibutyl tetrasulfide

A: 188290-36-0
thiophene

B: 3354-40-3
5-methyl-[1,2]dithiole-3-thione

C: 109-79-5
1-butanethiol

D: 544-40-1
Dibutyl sulfide

Conditions

Conditions	Yield
at 450℃; for 0.0236111h; Product distribution; Mechanism; thermolysis of var. dibutyl polysulfides (C4H9)Sn (n = 2, 3); var. temp.;	A 37.9% B 5.4% C 26% D 4.2%

...Expand

: 688-74-4
boric acid tributyl ester

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With hydrogen sulfide; iron sulfide at 340℃; under 19000 - 22800 Torr; variing conditions:temperature 350-576 deg C,molar ratio, delivery rate, pressure);	32%

: 5943-31-7
di-n-butyl trisulfide

A: 188290-36-0
thiophene

B: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
at 510℃; Product distribution; gas phase pyrolysis;	A 13% B 6.5%

: 420-12-2
thirane

: 60-29-7
diethyl ether

: 591-51-5
phenyllithium

A: 109-79-5
1-butanethiol

B: 108-98-5
thiophenol

...Expand

: 287-27-4
trimethylene sulphide

: 109-72-8, 29786-93-4
n-butyllithium

: 60-29-7
diethyl ether

A: 109-79-5
1-butanethiol

B: 1613-46-3
butyl propyl sulfide

C: 867129-71-3
1-butylsulfanyl-3-propylsulfanyl-propane

...Expand

: 286-28-2
cyclohexene sulfide

: 693-03-8
n-butyl magnesium bromide

: 60-29-7
diethyl ether

A: 109-79-5
1-butanethiol

B: 110-83-8
cyclohexene

...Expand

: 286-28-2
cyclohexene sulfide

: 109-72-8, 29786-93-4
n-butyllithium

: 60-29-7
diethyl ether

A: 109-79-5
1-butanethiol

B: 110-83-8
cyclohexene

...Expand

: 106-98-9
1-butylene

A: 109-79-5
1-butanethiol

B: 544-40-1
Dibutyl sulfide

Conditions

Conditions	Yield
With hydrogen sulfide at 0℃; Irradiation.mit UV-Licht;
With hydrogen sulfide Irradiation.mit UV-Licht;
With dimethyl 2,2'-azobis(isobutyrate); hydrogen sulfide

: 778-28-9
butyl para-toluenesulfonate

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With water; sodium thiosulfate und anschliessenden Erhitzen mit wss.Schwefelsaeure;
With sodium hydrogensulfide; water

: 544-40-1
Dibutyl sulfide

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With kieselguhr; phosphoric acid; hydrogen sulfide at 310℃;
With lithium aluminium tetrahydride; diethyl ether

: 629-45-8
dibutyl disulfide

A: 109-79-5
1-butanethiol

B: 628-29-5
n-butyl methyl sulfide

Conditions

Conditions	Yield
bei der Einw. von Penicillium brevicaule Saccardo;
bei der Einw. von Penicillium brevicaule Saccardo;

: 6497-29-6
2,2-bis-butylsulfanyl-propane

A: 89795-30-2
2-butylsulfanyl-propene

B: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
Thermolysis;

: 54300-26-4
butyl carbamodithioate

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With potassium hydroxide

: 854649-78-8
1,1-bis-ethylsulfanyl-2-butylsulfanyl-propane

: 865-47-4
potassium tert-butylate

A: 13879-93-1
methylketene diethyldithioacetal

B: 109-79-5
1-butanethiol

...Expand

: 2386-60-9
perfluoro-1-butanesulfonyl fluoride

: 109-79-5
1-butanethiol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 29765-12-6
2-((n-butylthio)methyl)oxirane

: 109-79-5
1-butanethiol

: 32338-86-6
1,3-bis(n-butylthio)propan-2-ol

Conditions

Conditions	Yield
With tetraethylammonium bromide In acetonitrile cathodic electrolysis;	100%
With sodium In methanol at 20 - 25℃; for 0.166667h;	93%
With zinc(II) chloride

: 109-79-5
1-butanethiol

: 629-45-8
dibutyl disulfide

Conditions

Conditions	Yield
With bis(2,2'-bipyridyl) copper(II) permanganate In dichloromethane for 0.166667h;	100%
With oxygen; vanadium(V) oxychloride In ethyl acetate at 20℃; for 3h;	100%
With water; bromine; silica gel In dichloromethane	99%

: 674-82-8
4-methyleneoxetan-2-one

: 109-79-5
1-butanethiol

: 72749-29-2
4-(n-Butylthiomethyl)oxetan-2-on

Conditions

Conditions	Yield
In diethyl ether at 0℃; for 0.5h;	100%
With sulfuric acid In diethyl ether for 2h; Ambient temperature;	72%
In diethyl ether at 0 - 5℃;

: 109-79-5
1-butanethiol

: 28010-12-0
5-phenylpenta-2,4-dienoic acid

: 75839-78-0
(2E,4E)-5-Phenyl-penta-2,4-dienethioic acid S-butyl ester

Conditions

Conditions	Yield
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature;	100%

: 109-79-5
1-butanethiol

: 37112-31-5
levoglucosenone

: 107838-62-0
1,6-anhydro-4-S-butyl-3-deoxy-4-thio-β-D-erythro-hexopyranos-2-ulose

Conditions

Conditions	Yield
triethylamine In chloroform for 0.0833333h; Product distribution; Ambient temperature; var. thiols,;	100%
triethylamine In chloroform for 0.0833333h; Ambient temperature;	100%
With N-ethyl-N,N-diisopropylamine In chloroform at 20℃; for 96h; Michael Addition; Inert atmosphere;	85%

: 109-79-5
1-butanethiol

: 115975-33-2
N,N-Dimethyl-2,4-bis(trifluoroacetyl)-1-naphthylamine

: 127053-11-6
Butyl 1-<2,4-bis(trifluoroacetyl)naphthyl> sulfide

Conditions

Conditions	Yield
In acetonitrile for 41h; Heating;	100%
In acetonitrile for 8h; Substitution; Heating;	38%

: 109-79-5
1-butanethiol

: 36525-03-8, 60592-55-4, 16187-31-8
trans-2-Phenylethenylmercuric chloride

: 20025-27-8, 24182-85-2, 24182-86-3
(E)-butyl(styryl)sulfane

Conditions

Conditions	Yield
With sodium hydrogencarbonate In benzene at 35 - 45℃; for 3h; Irradiation;	100%

: 109-79-5
1-butanethiol

: 115065-97-9, 115116-03-5
methyl-8,9-(S,S)-epoxy-5-hidroxy-6-dodecenoate

: 115066-01-8
methyl-5,9-dihydroxy-8-butanethiol-6-dodecenoate

Conditions

Conditions	Yield
With triethylamine In methanol for 45h; Ambient temperature;	100%

: 109-79-5
1-butanethiol

: 96286-28-1
5-Methoxy-4-phenyl-5,6-dihydro-4H-[1,3,4]thiadiazine

: 5-Butylsulfanyl-4-phenyl-5,6-dihydro-4H-[1,3,4]thiadiazine

Conditions

Conditions	Yield
Ambient temperature;	100%

: 109-79-5
1-butanethiol

: 164022-65-5
C51H44O7S

: C55H52O6S2

Conditions

Conditions	Yield
	100%

: 109-79-5
1-butanethiol

: 164022-66-6
C61H60O7S

: C65H68O6S2

Conditions

Conditions	Yield
	100%
	98%

: 109-79-5
1-butanethiol

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

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

Conditions

Conditions	Yield
In acetonitrile for 24h; Substitution; Heating;	100%

: 109-79-5
1-butanethiol

: 14985-44-5
8-bromo-2'-deoxyadenosine

: (2R,3S,5R)-5-(6-Amino-8-butylsulfanyl-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol

Conditions

Conditions	Yield
With triethylamine In water at 100℃;	100%

: gallium(II) bromide

: 109-79-5
1-butanethiol

: 97092-85-8
(GaBr2SC4H9)2

Conditions

Conditions	Yield
In further solvent(s) byproducts: H2; dry thiol was condensed on to cooled solid Ga2Br4 in vac., warmed for 5min; crystd. on standing;	100%

: 109-79-5
1-butanethiol

: In2I4

: 97092-66-5
(InI2(SC4H9))2

Conditions

Conditions	Yield
In further solvent(s) thiol was condensed on to cooled solid In2I4 in vac., warmed for 12 h;	100%

: Ga2I4

: 109-79-5
1-butanethiol

: 97092-86-9
(GaI2SC4H9)2

Conditions

Conditions	Yield
In further solvent(s) byproducts: H2; dry thiol was condensed on to cooled solid Ga2I4 in vac., warmed for 5 min; crystd. on standing;	100%

: Br4In2

: 109-79-5
1-butanethiol

: 97092-65-4
(InBr2(SC4H9))2

Conditions

Conditions	Yield
In further solvent(s) thiol was condensed on to cooled solid In2Br4 in vac., warmed for 12 h;	100%

: digallium tetrachloride

: 109-79-5
1-butanethiol

: 97092-84-7
(GaCl2SC4H9)2

Conditions

Conditions	Yield
In further solvent(s) byproducts: H2; dry thiol was condensed on to cooled solid Ga2Cl4 in vac., warmed for 5min; crystd. on standing;	100%

: In2Cl4

: 109-79-5
1-butanethiol

: 97092-64-3
(InCl2(SC4H9))2

Conditions

Conditions	Yield
In further solvent(s) thiol was condensed on to cooled solid In2Cl4 in vac., warmed for 12 h;	100%

: 56086-50-1, 84029-37-8
[(η5-C5Me5)Ir(Cl)(μ-H)]2

: 109-79-5
1-butanethiol

: 1333-74-0
hydrogen

: 188780-11-2
[(η(5)-C5Me5)IrCl]2(μ-H)(μ-SC4H9)

Conditions

Conditions	Yield
In benzene-d6 H2-atmosphere; 90°C (30 h); detd. by NMR spectroscopy;	100%

...Expand

: 109-79-5
1-butanethiol

: 2586-62-1
1-bromo-2-methylnaphtalene

: butyl(2-methylnaphthalen-1-yl)sulfane

Conditions

Conditions	Yield
Stage #1: n-butanethiol With sodium t-butanolate In tetrahydrofuran at 23℃; for 0.166667h; Inert atmosphere; Stage #2: With zinc(II) chloride In tetrahydrofuran for 0.166667h; Inert atmosphere; Stage #3: 1-bromo-2-methylnaphtalene With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I); lithium iodide In tetrahydrofuran at 90℃; for 2h; Inert atmosphere;	100%

: 109-79-5
1-butanethiol

: 367-81-7
2,4-dinitro-5-fluoroaniline

: 1448876-48-9
5-(butylthio)-2,4-dinitrobenzenamine

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran	100%
With potassium hydroxide In tetrahydrofuran; water at 20℃; for 1h;	99%

: 10276-21-8
isophorone oxide

: 109-79-5
1-butanethiol

: C13H22OS

Conditions

Conditions	Yield
Stage #1: n-butanethiol With sodium ethanolate at 20℃; for 0.166667h; Stage #2: isophorone oxide at 20℃; for 1h;	100%

: 88-15-3
2-Acetylthiophene

: 50-00-0
formaldehyd

: 109-79-5
1-butanethiol

: 100804-79-3
1-(α-thienyl)-2,2-bis(butylthiomethyl)-1-ethanone

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water Ambient temperature;	99.1%

...Expand

: 109-79-5
1-butanethiol

: 107-13-1
acrylonitrile

: 51771-37-0
3-(butylthio)propanenitrile

Conditions

Conditions	Yield
With azaphosphatrane salt on Merrifield resin In acetonitrile at 20℃; for 48h; Michael addition;	99%
With C10H20NaO5*HO(1-); water In methanol at 25℃; for 0.416667h; Michael addition;	99%
Stage #1: n-butanethiol With aluminum oxide; potassium fluoride In acetonitrile at 20℃; for 0.0833333h; Stage #2: acrylonitrile In acetonitrile at 20℃; for 0.166667h; Michael addition;	98%

: 109-79-5
1-butanethiol

: 940-31-8
2-phenoxypropionic acid

: 62170-11-0
2-Phenoxythiopropionsaeure-S-butylester

Conditions

Conditions	Yield
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature;	99%

: 109-79-5
1-butanethiol

: 79865-08-0
vinyl β-acetylacrylate

: 79865-16-0
2-butylthioethyl β-acetylacrylate

Conditions

Conditions	Yield
for 40h; Irradiation;	99%

: 109-79-5
1-butanethiol

: C12H19N3O2

: Adamantan-1-yl-thiocarbamic acid S-butyl ester

Conditions

Conditions	Yield
In acetonitrile at 60℃; for 2h;	99%

: 109-79-5
1-butanethiol

: 107-13-1
acrylonitrile

A: 51771-37-0
3-(butylthio)propanenitrile

B: 123564-12-5
2-Butylsulfanylmethyl-pentanedinitrile

Conditions

Conditions	Yield
With dimanganese decacarbonyl at 140℃; for 1h;	A 99% B 0.5%

...Expand

Butanethiol Chemical Properties

IUPAC Name: Butane-1-thiol
Molecular Formula: C₄H₁₀S
Molecular Weight: 90.18g/mol
EINECS: 203-705-3
Density: 0.84
Melting Point: -116°C
Flash Point: 12 ºC
Freely Rotating Bonds: 3
Polar Surface Area: 38.8 Å²
Enthalpy of Vaporization: 32.23 kJ/mol
Boiling Point: 98.2 °C at 760 mmHg
Vapour Pressure: 46.3 mmHg at 25°C
The Cas Register Number of 1-Butanethiol is 109-79-5 .The chemical synonyms of 1-Butanethiol (CAS No.109-79-5) are Thiobutyl alcohol ; N-butyl thioalcohol ; N-Butanethiol ; N-Butyl mercaptan ; 1-Butanethiol[qr] ; Butanethiol(non-specificname) ; Butanethiol[qr] ; Butylmercaptan(non-specificname) .Product categories of 1-Butanethiol (CAS No.109-79-5) are Industrial/Fine chemicals ; Thiol flavor .The molecular structure of 1-Butanethiol (CAS No.109-79-5) is .

Butanethiol Uses

It can be used as an industrial solvent, and as an intermediate for insecticides and herbicides.

Butanethiol Toxicity Data With Reference

1.	ratLD50:1500mg/kg	American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
2.	ratLD50:399mg/kg	American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
3.	mouseLD50:3gm/kg	Prehled Prumyslove Toxikologi ; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 982, 1986.
4.	dogLC50:770ppm/30M	Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 982, 1986.

Butanethiol Safety Profile

Hazard Codes: F Harmful Xn
Risk Statements: 11-20/22-36/37/38-21/22
R11: Highly flammable.
R20/22: Harmful by inhalation and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R21/22: Harmful in contact with skin and if swallowed.
Safety Statements: 16-23-26-36-9-36/37-33
S16: Keep away from sources of ignition.
S23: Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
S9: Keep container in a well-ventilated place.
S36/37: Wear suitable protective clothing and gloves.
S33: Take precautionary measures against static discharges.
RIDADR: UN2347 3/PG 2
WGK Germany: 3
RTECS EK: 6300000
F: 10-13-23
HazardClass: 3
PackingGroup: II

Butanethiol Specification

The extinguishing agent of 1-Butanethiol (CAS No.109-79-5) are dry powder, foam, sand, carbon dioxide, water mist.

Product Name

1-Butanethiol

Synthetic route

Butanethiol Chemical Properties

Butanethiol Uses

Butanethiol Toxicity Data With Reference

Butanethiol Safety Profile

Butanethiol Specification

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