2-Propanethiol supplier | CasNO.75-33-2

Name
2-Propanethiol
EINECS 200-861-4
CAS No. 75-33-2
Article Data43
CAS DataBase
Density 0.82 g/cm³
Solubility slightly soluble in water
Melting Point -131 °C(lit.)
Formula C₃H₈S
Boiling Point 55.8 °C at 760 mmHg
Molecular Weight 76.1625
Flash Point -34 °C
Transport Information UN 2402 3/PG 2
Appearance Colorless liquid
Safety 16-26-9-37/39-33
Risk Codes 11-36/37/38-36/38
Molecular Structure
Hazard Symbols F,Xi
Synonyms 1-Methylethanethiol;2-Mercaptopropane;2-Propylmercaptan;Isopropanethiol;Isopropyl mercaptan;Isopropylthiol;NSC 87537;i-Propylthiol;propane-2-thiol;
PSA 38.80000
LogP 1.32460

Synthetic route

: 4253-89-8
diisopropyl sulfide

: 123-38-6
propionaldehyde

A: 2432-47-5
S-isopropyl thiol-propionate

B: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
at 5℃; for 4h; Irradiation;	A 40% B 40%

...Expand

: Zn(2+)*2SC3H7(1-) = Zn(SC3H7)2

A: 187737-37-7
propene

B: 4253-89-8
diisopropyl sulfide

C: zinc sulfide

D: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
In neat (no solvent) under vac.,heated at 260 °C, 8 h,; GC;	A 8% B 22% C n/a D 17%

...Expand

: 828-26-2
hexamethyl-[1,3,5]trithiane

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
at 215℃;

: 75-30-9
2-iodo-propane

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With ethanol; water; potassium hydrosulfide

: 75-30-9
2-iodo-propane

A: 625-80-9
diisopropylsulfide

B: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With ethanol; potassium hydrosulfide

: 187737-37-7
propene

: 13730-34-2
diethyltetrasulfane

A: 625-80-9
diisopropylsulfide

B: 925-89-3
Prop-1-en-1-thiol

C: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
at 180℃;

...Expand

: 187737-37-7
propene

A: 534-25-8
1,2-dithiole-3-thione

B: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With sulfur at 240℃;

: 187737-37-7
propene

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With sulfur
With hydrogen sulfide
With hydrogen sulfide; sulfur
With hydrogen sulfide at 200℃; under 1875.19 Torr; Temperature; Pressure;

: 187737-37-7
propene

A: 107-03-9
1-thiopropane

B: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With kieselguhr; nickel(II) sulfide; hydrogen sulfide at 250 - 300℃;
With kieselguhr; nickel(II) sulfide; hydrogen sulfide at 250 - 300℃;

: 4253-89-8
diisopropyl sulfide

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With acetic acid; zinc
With diethyl ether; sodium
With phosphite radicals In water Rate constant; Mechanism; Irradiation;

: 1072-43-1
propylene sulphide

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 17356-08-0
thiourea

: 75-26-3
isopropyl bromide

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With water anschliessende Verseifung mit KOH;

: 67-63-0
isopropyl alcohol

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With phosphorous (V) sulfide Erhitzen des erhaltenen Dithiophosphorsaeure-O,O'-diisopropylesters auf 160grad;
With hydrogen sulfide; thorium dioxide at 300 - 360℃;

: 67-64-1
acetone

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With cobalt polysulfide; sulfur; acetic acid at 150 - 200℃; under 77228.3 - 102971 Torr; Hydrogenation;

: 75-26-3
isopropyl bromide

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With ethanol; potassium hydrosulfide
With sodium hydrogensulfide; ethanol

: 187737-37-7
propene

A: 107-03-9
1-thiopropane

B: 111-47-7
propyl sulfide

C: 5008-73-1
n-propyl isopropyl sulfide

D: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With benzophenone; hydrogen sulfide; phosphorous acid trimethyl ester In diethylene glycol dimethyl ether at 10℃; for 4h; Product distribution; Irradiation; variation of reagents and solvents (t. butanol, benzene);

...Expand

: 102505-81-7
3,3,4,4-tetramethyl-1,2-oxathietane

A: 52267-30-8
2,3-dimethyl-2-mercapto-3-butanol

B: 75-33-2
2-propanethiol

C: 67-63-0
isopropyl alcohol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether for 1h; Heating;	A 8 % Chromat. B 24 % Chromat. C 68 % Chromat.

...Expand

: 69165-81-7
S-nitroso-2-propanethiol

: 7218-04-4, 26117-28-2, 616-91-1
N-Acetylcysteine

A: 75-33-2
2-propanethiol

B: 60-24-2
2-hydroxyethanethiol

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane at 25℃; Rate constant; pH 7.4;

...Expand

: 625-80-9
diisopropylsulfide

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
With hydrogen In acetone at -78℃; under 4 Torr; Mechanism; other alkyl sulfides and alkyl substituted-benzyl sulfides, competition with n-propyl sulfide, reaction rate relative to n-propyl sulfide, microwave generation of H from H2;

: 31443-08-0
tetramethyl-[1,3]dithietane

sodium amalgam: sodium amalgam

: 75-33-2
2-propanethiol

: 64-19-7
acetic acid

: 67-64-1
acetone

sulfur: sulfur

hydrogen: hydrogen

cobalt sulfide-catalyst: cobalt sulfide-catalyst

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
at 150 - 200℃; under 77228.3 - 102971 Torr;

...Expand

: 64-19-7
acetic acid

: 67-64-1
acetone

sulfur: sulfur

hydrogen: hydrogen

nickel sulfide-catalyst: nickel sulfide-catalyst

: 75-33-2
2-propanethiol

Conditions

Conditions	Yield
at 150 - 200℃; under 77228.3 - 102971 Torr;

...Expand

2-Propanethiol Consensus Reports

Reported in EPA TSCA Inventory.

2-Propanethiol Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid, Poison (UN 1228); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3071)

2-Propanethiol Specification

The IUPAC name of Isopropanethiol is propane-2-thiol. With the CAS registry number 75-33-2, it is also named as 1-Methylethanethiol. The product categorie is thiol flavor. It is colorless liquid with a strong skunk-like odor and is miscible with ethanol and ether, soluble in acetone, slightly soluble in water. It may liberate hydrogen sulfide when mixed with an acid. When heated to decomposition it emits highly toxic fumes of SO_x. Additionally, Isopropanethiol is used as a solvent and organic synthesis intermediate. Besides, it must be sealed in the container and stored in a cool, dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.6; (6)ACD/BCF (pH 7.4): 9.6; (7)ACD/KOC (pH 5.5): 175.74; (8)ACD/KOC (pH 7.4): 175.65; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.428; (13)Molar Refractivity: 23.8 cm³; (14)Molar Volume: 92.4 cm³; (15)Polarizability: 9.43×10^-24 cm³; (16)Surface Tension: 22.2 dyne/cm; (17)Enthalpy of Vaporization: 27.91 kJ/mol; (18)Vapour Pressure: 246 mmHg at 25°C; (19)Exact Mass: 76.034671; (20)MonoIsotopic Mass: 76.034671; (21)Topological Polar Surface Area: 1; (22)Heavy Atom Count: 4; (23)Complexity: 10.8.

Uses of Isopropanethiol: It reacts with 3-chloro-propene to get 3-isopropylsulfanyl-propene. This reaction needs reagent sodium hydroxide and solvent methanol at temperature of 0 °C. The reaction time is 1 hours. The yield is 90%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:SC(C)C
2. InChI:InChI=1/C3H8S/c1-3(2)4/h3-4H,1-2H3
3. InChIKey:KJRCEJOSASVSRA-UHFFFAOYAY

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	130gm/m³/1H (130000mg/m³)	BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0571940,

Product Name

2-Propanethiol

Synthetic route

2-Propanethiol Consensus Reports

2-Propanethiol Standards and Recommendations

2-Propanethiol Specification

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