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507-09-5

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507-09-5 Usage

Chemical properties

Thioacetic acid is acid containing thiol group, it is also known as thioacetate, thiol acetic acid, acetic acid. It is yellow fuming liquid with unpleasant and pungent odor, chemical property is active, reactivity is very strong, it can prapare mercaptan by reaction with unsaturated aliphatic hydrocarbon and alcohol. CH3COSH + CH2 = CHCH3 → CH3CH2CH2SH CH3COSH + CH3CH2OH → CH3CH2SH Reaction with ethylene oxide can prepare acetylthio ethanol. CH3COSH + (CH2) 2O → CH3COSCH2CH2OH Four methods of laboratory prepared thioacetic acid: 1, acetic acid and phosphorus pentasulfide at 91℃ react, vacuum distillation is further refined and product can obtain. 5CH3COOH + P2S5 → CH3COSHC2H4OS + P2O5 2, chloride and hydrogen sulfide react, after dilute lye neutralizes and distillation refines. It can be obtained. 3, the reaction of acetic anhydride with hydrogen sulfide, thioacetic acid can be obtained, while byproduct of acetic acid can get. 4, the reaction of ketene with hydrogen sulfide can directly obtain. Uses: In laboratory, it can instead of hydrogen sulfide, it can be used verification of cobalt and lead, determination of molybdenum, sulfur synthetic aldehydes and ketones sulfur, histochemical determination of esterase, it can be used as tear gas and so on.

Uses

Different sources of media describe the Uses of 507-09-5 differently. You can refer to the following data:
1. 1. This product can be used as organic synthesis acetylthio agent and mercapto agent, it is mainly used for lipoic acid, cystine and synthetic mercapto carboxylic acids, it can also be used for hormone antidote, cephalosporins sex and fungicides, modifiers and additives for synthetic polymers. For reagents, flavors and fragrances, cosmetics, synthetic captopril. 2. It can be used as pharmaceuticals, flavors and fragrances intermediates. 3. It can be used as chemical reagent, precipitation agent and catalyst.
2. Thioacetic acid is a reagent for introduction of the thiol group into organic molecules. It is used as flavor & Fragrance Intermediates. It is used to manufacture captopril(antihypertension) and spironolac-tone (diuretic).
3. Chemical reagent, lachrymator.

Production methods

It can be obtained by thermal distillation of ice aldehyde acid with five-thiodipropionic phosphorus. Finely powdered phosphorus pentasulfide is added into glacial acetic acid. When heated to 91℃, it start distilles thioacetic acid, it need to prevent bumping during heating, distillation temperature must not exceed 100 ℃. Distillate distilles once again can derive product.

Hazards & Safety Information

Category: corrosive materials Toxicity grading: highly toxic Acute intraperitoneal toxicity-mouse LD50: 75 mg/kg Flammability Combustible hazardous characteristics: it is combustible, easy to decompose into acetic acid and toxic hydrogen sulfide gas Storage characteristics: Treasury ventilation low-temperature drying; and it should be stored separately with oxidants, alkali. Extinguishant: sand, foam, water spray, carbon dioxide.

Chemical Properties

Different sources of media describe the Chemical Properties of 507-09-5 differently. You can refer to the following data:
1. colourless fuming liquid with an unpleasant odour
2. Pale yellow liquid; cooked brown and roasted meat aroma.

Definition

ChEBI: A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom.

General Description

A clear,yellow liquid with a strong, unpleasant odor. May be toxic by ingestion, inhalation and skin absorption. Irritating to skin and eyes. Flash point near 50°F. Used to make other chemicals.

Air & Water Reactions

Highly flammable. Water soluble.

Reactivity Profile

Thioacetic acid is a thio organic acid. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid.

Hazard

Toxic by ingestion and inhalation; strong irritant to eyes and skin.

Health Hazard

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Flammability and Explosibility

Highlyflammable

Safety Profile

Poison by intraperitoneal route. A very dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits toxic fumes of SOx. See also SULFIDES and MERCAPTANS.

Check Digit Verification of cas no

The CAS Registry Mumber 507-09-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,0 and 7 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 507-09:
(5*5)+(4*0)+(3*7)+(2*0)+(1*9)=55
55 % 10 = 5
So 507-09-5 is a valid CAS Registry Number.
InChI:InChI=1/C2H4OS/c1-2(3)4/h1H3,(H,3,4)

507-09-5 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (L03305)  Thioacetic acid, 97%   

  • 507-09-5

  • 25g

  • 191.0CNY

  • Detail
  • Alfa Aesar

  • (L03305)  Thioacetic acid, 97%   

  • 507-09-5

  • 100g

  • 286.0CNY

  • Detail
  • Alfa Aesar

  • (L03305)  Thioacetic acid, 97%   

  • 507-09-5

  • 500g

  • 907.0CNY

  • Detail
  • Sigma-Aldrich

  • (Y0000897)  Racecadotril impurity A  European Pharmacopoeia (EP) Reference Standard

  • 507-09-5

  • Y0000897

  • 1,880.19CNY

  • Detail
  • Aldrich

  • (T30805)  Thioaceticacid  96%

  • 507-09-5

  • T30805-5G

  • 287.82CNY

  • Detail
  • Aldrich

  • (T30805)  Thioaceticacid  96%

  • 507-09-5

  • T30805-100G

  • 547.56CNY

  • Detail
  • Aldrich

  • (T30805)  Thioaceticacid  96%

  • 507-09-5

  • T30805-500G

  • 1,838.07CNY

  • Detail

507-09-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name ethanethioic S-acid

1.2 Other means of identification

Product number -
Other names Ethanethioic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:507-09-5 SDS

507-09-5Synthetic route

acetic acid
64-19-7

acetic acid

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With tetraphosphorus decasulfide; triphenyl antimony oxide In benzene at 40℃; for 1h;92%
With Lawessons reagent In acetonitrile at 100℃; for 0.25h; Inert atmosphere; Microwave irradiation;
acetyl chloride
75-36-5

acetyl chloride

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With N,N-dimethylthioformamide; hydrogen sulfide In dichloromethane at 25℃;90%
Ketene
463-51-4

Ketene

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With hydrogen sulfide; triethylamine In butan-1-ol at -10 - -5℃;65%
C8H12O4S4(75)Se

C8H12O4S4(75)Se

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With hydrogenchloride; 75Se-sodium selenite; sodium acetate at 5℃; for 0.833333h; Equilibrium constant; pH= 2.9; apparent equilibrium constant;
With hydrogenchloride; 75Se-sodium selenite; sodium acetate at 5℃; for 0.833333h; Equilibrium constant; pH= 1.3; apparent equilibrium constant;
acetyl sulfide
3232-39-1

acetyl sulfide

A

Ketene
463-51-4

Ketene

B

methylthiol
74-93-1

methylthiol

C

carbon oxide sulfide
463-58-1

carbon oxide sulfide

D

S-methyl thiolacetate
1534-08-3

S-methyl thiolacetate

E

thioacetic acid
507-09-5

thioacetic acid

F

H2S

H2S

Conditions
ConditionsYield
In chlorobenzene at 256.2℃; Rate constant; Product distribution; Thermodynamic data; log A, Ea; several temperatures;
2-(2-furyl)-1,3-thiazolide-4-carboxylic acid
72678-98-9

2-(2-furyl)-1,3-thiazolide-4-carboxylic acid

A

furfuryl disulfide
4437-20-1

furfuryl disulfide

B

2-thiolomethyl-furan
98-02-2

2-thiolomethyl-furan

C

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With baker's yeast; phosphate buffer at 30℃; for 168h; Product distribution; Further Variations:; pH-values; substrate concentration; aerobic or anaerobic mode;
With baker's yeast; phosphate buffer at 30℃; for 24h; pH=8.0; anaerobic;A n/a
B 37 % Chromat.
C n/a
hydrogen sulfide
7783-06-4

hydrogen sulfide

acetic anhydride
108-24-7

acetic anhydride

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
byproducts: acetic acid; in the presence of sodium hydroxide;
byproducts: acetic acid; in the presence of sodium hydroxide;
carbon suboxide
504-64-3

carbon suboxide

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With hydrogen sulfide In not given use of excess H2S;;
hydrgensulfide(1-)

hydrgensulfide(1-)

acetyl chloride
75-36-5

acetyl chloride

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
Kinetics; byproducts: Cl(1-); in gas phase;
Kinetics; byproducts: Cl(1-); in gas phase;
hydrgensulfide(1-)

hydrgensulfide(1-)

Acetyl bromide
506-96-7

Acetyl bromide

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
Kinetics; byproducts: Br(1-); in gas phase;
Kinetics; byproducts: Br(1-); in gas phase;
parathion-methyl
298-00-0

parathion-methyl

A

4-nitro-phenol
100-02-7

4-nitro-phenol

B

2-propyl-1-pentanol
58175-57-8

2-propyl-1-pentanol

C

O,O,S-trimethyl phosphorothioate
152-20-5

O,O,S-trimethyl phosphorothioate

D

poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

E

methyl paraoxon
950-35-6

methyl paraoxon

F

Diethyl phthalate
84-66-2

Diethyl phthalate

G

hydroquinone
123-31-9

hydroquinone

H

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With oxygen at 22.2 - 25.3℃; Kinetics; Quantum yield; Wavelength; UV-irradiation; Neat (no solvent);
parathion-methyl
298-00-0

parathion-methyl

A

4-nitro-phenol
100-02-7

4-nitro-phenol

B

2-propyl-1-pentanol
58175-57-8

2-propyl-1-pentanol

C

O,O,S-trimethyl phosphorothioate
152-20-5

O,O,S-trimethyl phosphorothioate

D

poly(methacrylic acid)
79-41-4

poly(methacrylic acid)

E

methyl paraoxon
950-35-6

methyl paraoxon

F

propionic acid
802294-64-0

propionic acid

G

hydroquinone
123-31-9

hydroquinone

H

thioacetic acid
507-09-5

thioacetic acid

Conditions
ConditionsYield
With water at 22.2 - 25.3℃; Kinetics; Quantum yield; Wavelength; UV-irradiation; Neat (no solvent); Inert atmosphere;

507-09-5Relevant articles and documents

-

Randshawa et al.

, p. 187,188, 189, 191 (1977)

-

STUDIES ON THE REACTIONS OF SELENITE ION WITH 1,2-DIMERCAPTOETHANE OR THIOACETIC ACID

Czauderna, Marian,Samochocka, Krystyna

, p. 2421 - 2423 (1982)

The reactions are reported between selenite and 1,2-dimercaptoethane (DME) or thioacetic acid (TAA) to form moderately stable derivatives having an enhanced absorptions in the 230-360 nm region in combining molar ratios 3:2 and 4:1, respectively.Both reactions invariably yield one product corresponding to the selenium-containing derivative of DME or TAA.The formation of products is a pH dependent process.The equilibrium constants of reactions between selenite and DME or TAA were measured.

Photolysis of methyl-parathion thin films: Products, kinetics and quantum yields under different atmospheric conditions

Segal-Rosenheimer, Michal,Dubowski, Yael

scheme or table, p. 193 - 202 (2010/10/01)

The present study focuses on the photodegradation of methyl-parathion thin films, an organophosphate insecticide, under different atmospheric conditions. The latter include nitrogenated, oxygenated and ozonated atmospheres, under low and high relative humidity conditions. Addition of oxygen to the atmospheric mixture did not seem to affect the reaction rates and quantum yields. Relative humidity affect was minor, with a small enhancement in reaction rate under 254. nm radiation. The addition of ozone (to either dry or humid atmosphere), at all concentrations tested, largely enhanced degradation rates. In the absence of ozone, the obtained quantum yields for photolysis of methyl-parathion thin films under 254 and 313. nm were 0.024 ± 0.007 and 0.012 ± 0.005, respectively. These values are higher than the values previously reported for solutions of methanol and water. Although the presence of molecular oxygen and water vapors did not seem to affect much the reaction rates, it did have a certain effect on the resulted products. More polar products were obtained under oxygenated and ozonated atmospheres, as well as dimers under ozone conditions. The reaction on thin films has yielded more toxic products than usually found in solutions, adding alkylphosphate esters in addition to the oxons formed normally.

Generation of thiols by biotransformation of cysteine-aldehyde conjugates with baker's yeast

Huynh-Ba, Tuong,Matthey-Doret, Walter,Fay, Laurent B.,Rhlid, Rachid Bel

, p. 3629 - 3635 (2007/10/03)

Baker's yeast was shown to catalyze the transformation of cysteine-furfural conjugate into 2-furfurylthiol. The biotransformation's yield and kinetics were influenced by the reaction parameters such as pH, incubation mode (aerobic and anaerobic), and substrate concentration. 2-Furfurylthiol was obtained in an optimal 37% yield when cysteine-furfural conjugate at a 20 mM concentration was anaerobically incubated with whole cell baker's yeast at pH 8.0 and 30 °C. Similarly to 2-furfurylthiol, 5-methyl-2-furfurylthiol (11%), benzylthiol (8%), 2-thiophenemethanethiol (22%), 3-methyl-2-thiophenemethanethiol (3%), and 2-pyrrolemethanethiol (6%) were obtained from the corresponding cysteine-aldehyde conjugates by incubation with baker's yeast. This work indicates the versatile bioconversion capacity of baker's yeast for the generation of thiols from cysteine-aldehyde conjugates. Thanks to its food-grade character, baker's yeast provides a biochemical tool to produce thiols, which can be used as flavorings in foods and beverages.

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