Thioacetic acid
Basic information
- CAS
507-09-5- Standard SMILES
CC(=O)S- InChIKey
DUYAAUVXQSMXQP-UHFFFAOYSA-N- Molecular formula
- C2H4OS
- Average molar mass
- 76.12 g/mol
- Monoisotopic mass
- 75.99828575
Overview
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.
Names & identifiers
- Preferred name
- Thioacetic acid
- IUPAC
- ethanethioic S-acid
- English name
- Thioacetic acid
- Molecular formula
- C2H4OS
- Molecular weight
- 76.12
Names & synonyms
THIOACETIC ACID507-09-5Ethanethioic acidThiacetic acidThiolacetic acidEthanethiolic acidMethanecarbothiolic acidThionoacetic acidKyselina thiooctovaAcetic acid, thio-PS92MLC0FQDTXSID5060142
Show more names
TAACH3COSHthioaceticethanethioic O-acidliudaiyisuanTHIOESSIGSAEUREthionoaceticacid
FEMA NO. 4210RefChem:897757MONOTHIOACETIC ACIDDTXCID9040895CHEBI:26952208-063-8Ethanethioic S-acidAcetyl mercaptan
Database identifiers
- CAS
507-09-5- PubChem CID
- 10484
- DTXSID
DTXSID5060142- ChEBI
CHEBI:16555- UNII
- PS92MLC0FQ
- EC Number
- 208-063-8
- Nikkaji
- J35.909B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 33
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Organic Acids
Flammable agents - 3rd degree
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.063-1.067
1.064 @25 °C
Solubility
Soluble in water, diethyl ether and acetone
Soluble (in ethanol)
Boiling Point
88.00 °C. @ 760.00 mm Hg
88-93 °C
93 °C @760 [mm Hg]
Melting Point17 °C
Refractive Index1.459-1.466
Physical Description
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.
Liquid
Yellow liquid with a pungent odor; [Merck Index] Colorless or pale yellow liquid; [Alfa Aesar MSDS]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 176 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanethioic acid
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanethioic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanethioic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12473
Ethanethioic acid: HSNO Approval: HSR001051 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Chemistry & industry
Uses & manufacturing
UsesUsed to make other chemicals; [CAMEO] Used as a source of thiol groups in molecular synthesis and as a component of Schiff's reagent; [REPROTOX] Used as a flavoring agent; [FDA]
U.S. Production2023: <50,000 lb
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationEthanethioic acid: ACTIVE
Applications
Uses1. 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.
UsesThioacetic 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).
UsesChemical reagent, lachrymator.
General DescriptionA 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.
Upstream & downstream products
Upstream raw materials
Related reactions
27 records
Compound notes
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