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Thioacetic acid

Thioacetic acid structure

CAS No:
507-09-5
Formula:
C2H4OS
Chemical Name:
Thioacetic acid
Synonyms:
Ethanethioic acid;Acetic acid,thio-;Ethanethiolic acid;Thiacetic acid;Thioacetic acid;Thiolacetic acid;Methanecarbothiolic acid;Thionoacetic acid;Acetyl mercaptan;Monothioacetic acid;196320-91-9;531524-45-5;531524-48-8;1356190-88-9
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

Description

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 → CH3COSCH

Thioacetic acid appears as a clear,yellow liquid with a strong, unpleasant odor. May be toxic by ingestion, inhalation and skin absorption. Irritating to skin and eyes. Used to make other chemicals.|Ethanethioic S-acid is a thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom. It is a tautomer of an ethanethioic O-acid.

Thioacetic acid Basic Attributes

Molecular Weight：

76.12

Exact Mass：

76.12

BRN：

773684

EC Number：

208-063-8

UNII：

PS92MLC0FQ

UN Number：

2436

DSSTox ID：

DTXSID5060142

HScode：

29309070

Characteristics

PSA：

18.1

XLogP3：

0.10

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.074 g/cm³

Melting Point：

<-17 °C

Boiling Point：

93 °C

Flash Point：

52 °F

Refractive Index：

1.442

Water Solubility：

H2O: 27 g/L (15 ºC) (hydrolyse)

Storage Conditions：

Refrigerator

Vapor Pressure：

1 hPa (20 °C)

Toxicity：

Abdominal cavity-mouse LD50: 75 mg/kg

Flammability characteristics：

Flammable; easily decomposed into acetic acid and toxic hydrogen sulfide gas

Air and Water Reactions：

Highly flammable. Water soluble.

Reactive Group：

Acids, Carboxylic

Reactivity Alerts：

Highly Flammable

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.

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2436 3/PG 2

wgk germany：

hazard class code：

11-34-22-43-41

safety instructions：

9-16-26-36/37/39-45-28-23

RTECS Number：

AJ5600000

Marks：

F,C,Xn

Storage features：

The warehouse is ventilated, low-temperature and dry; stored separately from oxidants and alkalis.

Stability/Shelf Life：

Stable. Flammable. Incompatible with metals, strong oxidizing agents.

Precautionary statement(s)：

P210-P280-P301 + P310 + P330-P305 + P351 + P338 + P310-P333 + P313-P370 + P378

Hazard Statements：

H225-H301-H317-H318

Fire Hazards：

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)|Flammable - 3rd degree

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 173 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1363 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Fighting：

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane (UN1261) or nitroethane (UN2842). LARGE FIRE: Water spray, fog or alcohol-resistant foam. Do not use straight streams. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)

Isolation and Evacuation：

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Nonfire Spill Response：

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Personal Protective Equipment：

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)

Toxicity

Toxicity class：

highly toxic

Drug Information

Health Hazards：

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: 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. (ERG, 2016)

First Aid：

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)

MeSH Entry Terms：

thioacetic acid

Thioacetic acid Use and Manufacturing

Methods of Manufacturing

It is obtained by thermal distillation of glacial acid and pentathiodiphosphorus. Add the fine powdered phosphorus pentasulfide to glacial acetic acid. When heated to 91°C, thioacetic acid will start to steam out, and bumping must be prevented when heating, and the distillation temperature must not exceed 100°C. The distillate is re-distilled once to obtain the finished product.

Uses

Used as chemical reagent, precipitant and catalyst

Manufacturing Info：

Ethanethioic acid: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index|Fire Hazards -> Flammable - 3rd degree

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:76.12
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:75.99828592
Monoisotopic Mass:75.99828592
Topological Polar Surface Area:18.1
Heavy Atom Count:4
Complexity:33
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Disodium sulfide

Acetic acid

Sulfuric acid

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Thioacetic acid cas 507-09-5 Molecular formula C2H4OS

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