2-Methyl-2-propanethiol supplier

Name
2-Methyl-2-propanethiol
EINECS 200-890-2
CAS No. 75-66-1
Article Data68
CAS DataBase
Density 0.83 g/cm³
Solubility Slightly soluble in water
Melting Point -1.1 °C
Formula C₄H₁₀S
Boiling Point 67 °C at 760 mmHg
Molecular Weight 90.1894
Flash Point ?12°F
Transport Information UN 2347
Appearance liquid with an exceedingly unpleasant smell
Safety 3-16-26-39-38-36/37
Risk Codes 11-41-65-43-36
Molecular Structure
Hazard Symbols F,Xn,Xi
Synonyms 1,1-Dimethylethanethiol;2-Isobutanethiol;2-Methyl-2-propanethiol;TBM;tert-Butanethiol;tert-Butylmercaptan;tert-Butylthiol;
PSA 38.80000
LogP 1.71470

Synthetic route

: 507-19-7
t-butyl bromide

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

Conditions

Conditions	Yield
With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h;	96%
Stage #1: t-butyl bromide With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: With sulfur In tetrahydrofuran; hexane at -78 - 20℃; for 1h; Inert atmosphere;

: 507-20-0
tertiary butyl chloride

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

Conditions

Conditions	Yield
With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h;	95%
With hydrogen sulfide; boron trifluoride
With hydrogen sulfide; tin(IV) chloride

: 937-38-2
1-chloro-3-phenylpropan-2-one

: 15459-95-7
t-butyl thionitrite

A: 78946-49-3
C9H8ClNO2

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 3h;	A 95% B n/a

...Expand

: 15459-95-7
t-butyl thionitrite

: 20261-68-1
1-chlorohexan-2-one

A: 78946-52-8
C6H10ClNO2

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 3h;	A 95% B n/a

...Expand

: 15459-95-7
t-butyl thionitrite

: 940-47-6
1-chloro-3-phenoxyacetone

A: 78946-50-6
C9H8ClNO3

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 3h;	A 95% B n/a

...Expand

: 15459-95-7
t-butyl thionitrite

: 13547-70-1
1-chloro-3,3-dimethyl-butan-2-one

A: 96759-10-3
(1Z)-N-hydroxy-3,3-dimethyl-2-oxobutanimidoyl chloride

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 3h;	A 85% B n/a

...Expand

: 15459-95-7
t-butyl thionitrite

: 78-95-5
chloroacetone

A: 17019-27-1
N-hydroxy-2-oxo-propionimidoyl chloride

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 3h;	A 82% B n/a

...Expand

: 75-65-0
tert-butyl alcohol

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

Conditions

Conditions	Yield
With polymer supported thiol; trifluoroacetic anhydride In dichloromethane at 20℃; for 0.25h;	75%
With hydrogen sulfide at 180℃; under 6251820 Torr;

: 15459-95-7
t-butyl thionitrite

: 598-31-2
1-bromoacetone

A: 30822-62-9
(Z)-pyruvohydroximoyl bromide

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 3h;	A 43% B n/a

...Expand

: 67-56-1
methanol

: 2-(2-tert-Butylsulfanyl-2-methoxy-ethyl)-benzo[de]isoquinoline-1,3-dione

A: 75-66-1
2-methylpropan-2-thiol

B: 153721-06-3
2-(2,2-dimethoxyethyl)-1H-benzo[d,e]isoquinoline-1,3(2H)-dione

Conditions

Conditions	Yield
In dichloromethane Irradiation;	A 30% B 34%

...Expand

: 15459-95-7
t-butyl thionitrite

: 532-27-4
1-chloroacetophenone

A: 75-66-1
2-methylpropan-2-thiol

B: 17019-28-2
(Z)-N-hydroxy-α-oxobenzeneethanimidoyl chloride

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 3h;	A n/a B 20%

...Expand

: 15459-95-7
t-butyl thionitrite

: 70-11-1
α-bromoacetophenone

A: 14450-97-6
C8H6BrNO2

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In diethyl ether at 25℃; for 3h;	A 10% B n/a

...Expand

: 92799-96-7
O,O-di-t-butyl dithiophosphoric acid

A: 75-66-1
2-methylpropan-2-thiol

B: 115-11-7
isobutene

Conditions

Conditions	Yield
at 70℃;

: 78-77-3
Isobutyl bromide

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

Conditions

Conditions	Yield
With sodium hydrogensulfide; ethanol

: 107-47-1
sulfure de di tert-butyle

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

Conditions

Conditions	Yield
With iron sulfide; hydrogen sulfide at 190℃; unter Druck;
With hydrogen sulfide; propionic acid anhydride at 190℃; unter Druck;

: 2437-52-7
3-tert-Butyl-2,4,4-trimethyl-pent-2-ene

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

Conditions

Conditions	Yield
With hydrogen sulfide at 200℃; under 36775.4 Torr;

: 677-22-5
tert-butylmagnesium chloride

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

Conditions

Conditions	Yield
With diethyl ether; sulfur Zersetzen mit Eiswasser und verd.H2SO4;

: 53243-22-4
S-tert-butyl isothiouronium bromide

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

Conditions

Conditions	Yield
With potassium hydroxide

: 558-17-8
tert-Butyl iodide

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

Conditions

Conditions	Yield
With ethanol; zinc sulfide

: 115-11-7
isobutene

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

Conditions

Conditions	Yield
With sulfuric acid; hydrogen sulfide
With hydrogen sulfide; benzenesulfonic acid
With phosphoric acid; hydrogen sulfide; pyrographite

: 110-01-0
thiophene

A: 188290-36-0
thiophene

B: 624-64-6
trans-2-Butene

C: 75-28-5
Isobutane

D: 544-40-1
Dibutyl sulfide

E: 75-66-1
2-methylpropan-2-thiol

F: 115-11-7
isobutene

Conditions

Conditions	Yield
aluminum oxide; cobalt molybdenum In n-heptane at 290℃; under 21280 Torr; Product distribution; Mechanism; effect of temperature, pressure and contact time;

...Expand

: 188290-36-0
thiophene

A: 110-01-0
thiophene

B: 624-64-6
trans-2-Butene

C: 75-28-5
Isobutane

D: 544-40-1
Dibutyl sulfide

E: 75-66-1
2-methylpropan-2-thiol

F: 115-11-7
isobutene

Conditions

Conditions	Yield
aluminum oxide; cobalt molybdenum In n-heptane at 290℃; under 21280 Torr; Product distribution; Mechanism; effect of temperature, pressure and contact time;

...Expand

: 110-06-5
di-tert-butyl disulfide

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

Conditions

Conditions	Yield
With n-butanethiol Equilibrium constant;

: 507-19-7
t-butyl bromide

: 97006-62-7
Potassium N-<(2-vinyloxy)ethyl>dithiocarbamate

A: 126560-48-3
tert-butyl N-(2-vinyloxyethyl)dithiocarbamate

B: 59565-09-2
2-(vinyloxy)ethyl isothiocyanate

C: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In ethanol at 60℃; for 1h;	A 36 % Spectr. B n/a C n/a

...Expand

: 15925-47-0
S-tert-butyl acetothioacetate

A: 541-50-4
2-acetoacetic acid

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
With water at 23.3 - 49℃; Rate constant; Thermodynamic data; 0.8percent (v/v) acetonitrile, ionic strength 0.1M. ΔH(excit.), ΔS(excit.), study of rate constant at different temperatures.;
With sodium hydroxide at 25℃; Rate constant; ionic strength 0.1M, 0.8percent (v/v) acetonitrile;

: 2211-92-9
di-tert-butyl sulfoxide

A: 4719-19-1
2-methyl-2-propanesulfenic acid

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
at 350℃;

: C16H17O2S3(1-)

A: 25331-82-2
dibenzo<1,2>dithiin 5,5-dioxide

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In 1,4-dioxane; water at 25℃; Rate constant; var. pH;

: 75272-63-8
selenium(II) bis(2-methyl-2-propanethiolate)

: 58204-98-1
35S-2-methyl-2-propanethiol

A: 75-66-1
2-methylpropan-2-thiol

B: C8H18(35)S2Se

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane at 25℃; Rate constant; Kinetics; exchange of 35S labeled thiols with bis(alkylthio) selenides reactions of bis(alkylthio) selenides with various nucleophiles, reactivity and site of nucleophilic attack;

...Expand

: 32259-07-7
2-methylpropane-2-thiol-d1

: 75-33-2
2-propanethiol

A: 41782-40-5
isopropylthiol-d

B: 75-66-1
2-methylpropan-2-thiol

Conditions

Conditions	Yield
In Cyclohexane-d12 at 29.9℃; Rate constant; Equilibrium constant; Thermodynamic data; EA (Arrhenius activation energy); ΔH<> (enthalpy for isotopic exchange); ΔS<> (entropy for isotopic exchange); various solvents investigated;

...Expand

: 107-47-1
sulfure de di tert-butyle

: 108-90-7
chlorobenzene

A: 139-66-2
diphenyl sulfide

B: 75-66-1
2-methylpropan-2-thiol

C: 108-98-5
thiophenol

D: 71-43-2
benzene

Conditions

Conditions	Yield
at 650℃; Product distribution; Mechanism;
at 650℃; Product distribution; Mechanism; 600 deg C;

...Expand

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

: 6009-05-8
2-methyl-2-propanethiosulfenyl chloride

Conditions

Conditions	Yield
With pyridine; sulfur dichloride In diethyl ether at -78℃; for 0.5h;	100%
With chlorine In tetrachloromethane
With sulfur dichloride; pentane

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

: 52322-55-1
1,1-dimethylethanesulfenyl chloride

Conditions

Conditions	Yield
With pyridine; sulfuryl dichloride In diethyl ether at -78℃; for 0.5h;	100%
With methylbutane; chlorine
With hexane; chlorine

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

: 5943-35-1
bis(2-methyl-2-propyl)tetrasulfide

Conditions

Conditions	Yield
With disulfur dichloride	100%
With disulfur dichloride; benzene
With propylamine; sulfur In dichloromethane
With disulfur dichloride In tetrachloromethane Ambient temperature;
With disulfur dichloride

: 6009-05-8
2-methyl-2-propanethiosulfenyl chloride

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

: 4253-90-1
di-tert-butyl trisulfide

Conditions

Conditions	Yield
With pyridine In diethyl ether for 0.5h;	100%

: 52322-55-1
1,1-dimethylethanesulfenyl chloride

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

: 110-06-5
di-tert-butyl disulfide

Conditions

Conditions	Yield
With pyridine In diethyl ether for 0.5h;	100%

: 36525-02-7, 79178-05-5
<(E)-3,3-dimethyl-1-butenyl>mercuric chloride

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

: 75924-71-9
(E)-1-tert-Butylsulfanyl-3,3-dimethyl-but-1-ene

Conditions

Conditions	Yield
With sodium hydrogencarbonate In benzene at 35 - 45℃; for 15h; Irradiation;	100%

: 134654-70-9
(p-cymene)osmium bis(t-butyloxide)

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

A: 134654-72-1
(p-cymene)osmium bis(t-butylthiolate)

B: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In benzene-d6 soln. of CymOs(O-t-Bu)2 in C6D6 is degassed, t-BuSH is added at -196°C; (1)H-NMR;	A 92% B 100%

...Expand

: 95050-66-1
monomethylgallium di-iodide

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

: diiodomethyl(tert-butylthiol)gallane

Conditions

Conditions	Yield
In benzene byproducts: CH4; (under N2); the thiol is introduced into a soln. of MeGaI2 in benzene; the solvent is evapd., the residue is washed, dried; elem. anal.;	100%

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

: 536-38-9
4-chlorobenzoylmethyl bromide

: 88577-88-2
C12H15ClOS

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; for 16h;	100%

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

: 350-46-9
4-Fluoronitrobenzene

: 7205-66-5
1-(1,1-dimethylethyl)sulfanyl-4-nitrobenzene

Conditions

Conditions	Yield
With sodium hydroxide In N,N-dimethyl-formamide Inert atmosphere;	100%
Stage #1: 2-methylpropan-2-thiol; 4-Fluoronitrobenzene With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; Stage #2: With water In N,N-dimethyl-formamide; mineral oil for 0.25h;	91%
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h;

: 1313757-49-1
methyl 2-(3-(2-bromomethyl-4-nitrophenoxy)-4-methoxyphenyl)acetate

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

: 1313757-50-4
methyl 2-(3-(2-(tert-butylthiomethyl)-4-nitrophenoxy)-4-methoxyphenyl)acetate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 15℃; for 5h;	100%

: 114550-41-3
bis(acetonitrile)(5,10,15,20-tetra-p-tolylporphyrinato)ruthenium(II)

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

: 1357363-80-4
Ru(meso-tetrakis(4-methylphenyl)porphyrin)(t-BuSH)2

Conditions

Conditions	Yield
In benzene at 20℃; for 24h;	100%
In benzene-d6 identified by NMR;

: 58861-53-3
4-fluorophenylpyridine

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

: 1580547-38-1
2-(4-tbutylsulfanylphenyl)pyridine

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 120℃; for 24h; Inert atmosphere;	100%

: 71082-53-6
8-fluoroquinoline-3-carboxylic acid

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

: 1414882-17-9
8-(tert-butylthio)quinoline-3-carboxylic acid

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 140℃; for 18h; Inert atmosphere;	100%
With sodium hydride In N,N-dimethyl-formamide at 140℃; for 18h; Inert atmosphere;	100%

: 25297-51-2
2,6-dichloro-4-phenylpyridine

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

: 2-(tert-butylthio)-6-chloro-4-phenylpyridine

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 80℃;	100%

: 108-24-7
acetic anhydride

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

: 999-90-6
S-tert-butyl thioacetate

Conditions

Conditions	Yield
With vanadyl triflate In dichloromethane at 20℃; for 12h;	99%
Stage #1: acetic anhydride With molybdenium(VI) dioxodichloride In dichloromethane at 20℃; for 0.5h; Stage #2: 2-methylpropan-2-thiol In dichloromethane at 20℃; for 18h;	98%
With pyridine
With perchloric acid; acetic acid
With triethylamine

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

: 110-06-5
di-tert-butyl disulfide

Conditions

Conditions	Yield
With nanophase manganese (VII) oxide coated clay (NM7O coated clay) In toluene at 40℃; for 2h;	99%
With potassium permanganate at 20℃; for 8h;	99%
With water; dihydrogen peroxide In various solvent(s) at 20℃; for 0.166667h; Oxidation; Dimerization;	98%

: 96-23-1
1,3-Dichloro-2-propanol

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

: 101855-82-7
1,3-bis(tert-butylthio)propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; Inert atmosphere;	99%
With sodium 1) EtOH, 50 deg C, 30 min, 2) 6 h, reflux; Yield given. Multistep reaction;

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

: 3433-80-5
1-Bromo-2-bromomethyl-benzene

: 259136-26-0
1-bromo-2-[(tert-butylsulfanyl)methyl]benzene

Conditions

Conditions	Yield
With potassium hydride In tetrahydrofuran at 0 - 20℃; for 24h; Substitution;	99%
Stage #1: 2-methylpropan-2-thiol With sodium hydride In tetrahydrofuran at 25℃; for 1h; Inert atmosphere; Stage #2: 1-Bromo-2-bromomethyl-benzene In tetrahydrofuran for 18h; Inert atmosphere; Reflux;	97%
Stage #1: 2-methylpropan-2-thiol With sodium hydride In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Stage #2: 1-Bromo-2-bromomethyl-benzene In tetrahydrofuran for 16h; Inert atmosphere; Reflux;	94%
With sodium hydroxide In methanol; water at 20 - 40℃; for 0.5h;

: 623-12-1
4-chloromethoxybenzene

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

: 7205-64-3
1-[(1,1-dimethylethyl)thio]-4-methoxybenzene

Conditions

Conditions	Yield
With sodium t-butanolate; palladium diacetate In 1,4-dioxane at 100℃; for 18h;	99%

: 576-22-7
2-Bromo-m-xylene

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

: 16463-11-9
2,6-dimethylphenyl 2-methyl-2-propyl sulfide

Conditions

Conditions	Yield
With sodium t-butanolate; palladium diacetate In 1,4-dioxane at 100℃; for 18h;	99%
With (R)-1-[(SP)-2-(dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; palladium diacetate; sodium t-butanolate In 1,2-dimethoxyethane at 110℃; for 4h; Inert atmosphere;	92%
Stage #1: 2-Bromo-m-xylene With dichloro[1,3-bis(2,6-di-3-pentylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II); lithium isopropoxide In toluene at 80℃; for 0.5h; Inert atmosphere; Stage #2: 2-methylpropan-2-thiol With potassium tert-butylate In toluene at 40℃; for 24h; Inert atmosphere;	73%

2-Methyl-2-propanethiol Chemical Properties

IUPAC Name: 2-Methylpropane-2-thiol
Molecular Formula: C₄H₁₀S
Molecular Weight: 202.40g/mol
EINECS: 200-890-2
Density: 0.83 g/cm³
Melting Point: -1 °C
Boiling Point: 67 °C at 760 mmHg
Flash Point: -24 °C
Solubility: slightly soluble
Appearance: clear liquid
Liansport Information: 160kgs
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å²
Index of Refraction: 1.436
Molar Refractivity: 28.44 cm³
Molar Volume: 108.6 cm³
Polarizability: 11.27 ×10^-24 cm³
Surface Tension: 23.1 dyne/cm
Enthalpy of Vaporization: 28.45 kJ/mol
Vapour Pressure: 160 mmHg at 25°C
Stability: stable,flammable - note low flashpoint ,incompatible with strong oxidizing agents
2-Methyl-2-propanethiol ,its Cas Register Number is 75-66-1.The chemical synonyms of 2-Methyl-2-propanethiol (CAS No.75-66-1) are 1,1-Dimethylethanethiol ; 2-Isobutanethiol ; 2-Methyl-2-propanethio ; 2-Methyl-propane-2-thiol ; Mercaptantert-butyliquebutanethiol(non-specificname) ; Methylpropanethiol(non-specificname) ; Tert-Butyl hydrosulfide ; Tert-Butylthiol .The molecular structure of 2-Methyl-2-propanethiol (CAS No.75-66-1) is .

2-Methyl-2-propanethiol Uses

2-Methyl-2-propanethiol (CAS No.75-66-1) is used as organophosphorus insecticides intermediate.

2-Methyl-2-propanethiol Toxicity Data With Reference

1.	eye-rbt 84 mg	AIHAAP American Industrial Hygiene Association Journal. 19 (1958),171.
2.	orl-rat LD50:4729 mg/kg	AIHAAP American Industrial Hygiene Association Journal. 19 (1958),171.
3.	ihl-rat LC50:22,200 ppm/4H	AIHAAP American Industrial Hygiene Association Journal. 19 (1958),171.
4.	ipr-rat LD50:590 mg/kg	AIHAAP American Industrial Hygiene Association Journal. 19 (1958),171.

2-Methyl-2-propanethiol Consensus Reports

Reported in EPA TSCA Inventory.

2-Methyl-2-propanethiol Safety Profile

Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. An eye irritant. A very dangerous fire hazard when exposed to heat or flame. Can react vigorously with oxidizing materials. To fight fire, use alcohol foam, dry chemical, mist, fog. When heated to decomposition or on contact with acid or acid fumes it emits highly toxic fumes of SO_x. See also MERCAPTANS.
Hazard Codes: F,Xi,Xn
Xn: Harmful
Xi: Irritant
F: Highly Flammable
Risk Statements: 11-41-65-43-36
11: Highly Flammable
41: Risk of serious damage to eyes
43: May cause sensitization by skin contact
36: Irritating to the eyes
65: Harmful: May cause lung damage if swallowed
Safety Statements: 3-16-26-39-38-36/37
38: In case of insufficient ventilation, wear suitable respiratory equipment
39: Wear eye/face protection
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
3: Keep in a cool place
36/37: Wear suitable protective clothing and gloves

2-Methyl-2-propanethiol Specification

Its extinguishing agent is foam, sand, carbon dioxide, 1211 fire extinguishing agent and water mist.

Product Name

2-Methyl-2-propanethiol

Synthetic route

2-Methyl-2-propanethiol Chemical Properties

2-Methyl-2-propanethiol Uses

2-Methyl-2-propanethiol Toxicity Data With Reference

2-Methyl-2-propanethiol Consensus Reports

2-Methyl-2-propanethiol Safety Profile

2-Methyl-2-propanethiol Specification

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