ChemicalBook--->CAS DataBase List--->507-09-5

507-09-5

507-09-5 Structure

507-09-5 Structure
IdentificationMore
[Name]

Thioacetic acid
[CAS]

507-09-5
[Synonyms]

ATA(TM)
ETHANETHIOIC ACID
TAA
THIACETIC ACID
THIOACETIC ACID
THIOACETIC S-ACID
THIOLACETIC ACID
aceticacid,thio-
Acetyl mercaptan
acetylmercaptan
CH3COSH
Ethanethioic S-acid
Ethanethiolic acid
ethanethiolicacid
Kyselina thiooctova
kyselinathiooctova
Methanecarbothiolic acid
methanecarbothiolicacid
thioacetic
thio-aceticaci
[EINECS(EC#)]

208-063-8
[Molecular Formula]

C2H4OS
[MDL Number]

MFCD00004853
[Molecular Weight]

76.12
[MOL File]

507-09-5.mol
Chemical PropertiesBack Directory
[Appearance]

colourless fuming liquid with an unpleasant odour
[Melting point ]

-17 °C
[Boiling point ]

97 °C
[density ]

1.065 g/mL at 25 °C(lit.)
[vapor pressure ]

1 hPa (20 °C)
[FEMA ]

4210 | THIOACETIC ACID
[refractive index ]

n20/D 1.465(lit.)
[Fp ]

52 °F
[storage temp. ]

Refrigerator
[solubility ]

27g/l (slow decomposition)
[form ]

Liquid
[pka]

3.33(at 25℃)
[color ]

Clear colorless to pale yellow
[Odor]

at 0.01 % in propylene glycol. cooked roasted meaty burnt
[PH]

1.8 (100g/l, H2O, 20℃)Hydrolysis
[Stability:]

Stable. Flammable. Incompatible with metals, strong oxidizing agents.
[Odor Type]

meaty
[Water Solubility ]

27 g/L (15 ºC) (hydrolyse)
[JECFA Number]

1676
[Merck ]

14,9320
[BRN ]

773684
[Dielectric constant]

13.0(20℃)
[LogP]

0.14
[Uses]

Chemical reagent, lachrymator.
[CAS DataBase Reference]

507-09-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanethioic acid(507-09-5)
[EPA Substance Registry System]

507-09-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,C
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
R22:Harmful if swallowed.
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2436 3/PG 2
[WGK Germany ]

3
[RTECS ]

AJ5600000
[F ]

13-19
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29309070
[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.
[Toxicity]

LD50 orally in Rabbit: 200 - 350 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Acetic anhydride-->Sodium sulfide-->Phosphorus pentasulfide-->Sodium sulfide nonahydrate
[Preparation Products]

Captopril-->Isobutyryl chloride-->brotianide-->1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID-->Mercaptosuccinic acid-->Dimercaptosuccinic acid-->Potassium thioacetate-->SODIUMTHIOLACETATE-->METHYL N-ACETYLGLYCINATE-->(S)-N-[3-(3-FLUORO-4-IODO-PHENYL)-2-OXO-OXAZOLIDIN-5-YLMETHYL]-ACETAMIDE-->B-ACETAMIDONAPHTHALENE-->N-Acetyl-L-tryptophan-->THIOACETANILIDE-->N-(2-MERCAPTOETHYL)ACETAMIDE-->S-ACETYLTHIOACETIC ACID-->4-Morpholinecarboxylic acid, 2-[(acetylthio)methyl]-, 1,1-dimethylethyl ester
Hazard InformationBack Directory
[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.
[Reactivity Profile]

THIOACETIC ACID(507-09-5) 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.
[Air & Water Reactions]

Highly flammable. Water soluble.
[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.
[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.
[Hazard]

Toxic by ingestion and inhalation; strong irritant to eyes and skin.
[Flammability and Explosibility]

Highlyflammable
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethanethioic acid(507-09-5).msds
Questions And AnswerBack Directory
[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]

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.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

Thioacetic acid(507-09-5)MS
Thioacetic acid(507-09-5)1HNMR
Thioacetic acid(507-09-5)13CNMR
Thioacetic acid(507-09-5)IR1
Thioacetic acid(507-09-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Thiolacetic acid, 98%(507-09-5)
[Alfa Aesar]

Thioacetic acid, 97%(507-09-5)
[Sigma Aldrich]

507-09-5(sigmaaldrich)
[TCI AMERICA]

Thioacetic Acid,>95.0%(GC)(507-09-5)
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