Thioessigsure

Thioacetic acid

HCID 10484CAS 507-09-5

Grundinformationen

Standard-SMILES
CC(=O)S
InChIKey
DUYAAUVXQSMXQP-UHFFFAOYSA-N
Summenformel
C2H4OS
Durchschnittliche Molmasse
76,12 g/mol
Monoisotopische Masse
75,99828575

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
Thioacetic acid
IUPAC
ethanethioic S-acid
Lokaler Name
Thioessigsure
Englischer Name
Thioacetic acid
Summenformel
C2H4OS
Molmasse
76.12

Namen und Synonyme

THIOACETIC ACID507-09-5Ethanethioic acidThiacetic acidThiolacetic acidEthanethiolic acidMethanecarbothiolic acidThionoacetic acidKyselina thiooctovaAcetic acid, thio-PS92MLC0FQDTXSID5060142
Weitere Namen anzeigen
TAACH3COSHthioaceticethanethioic O-acidliudaiyisuanTHIOESSIGSAEUREthionoaceticacid
FEMA NO. 4210RefChem:897757MONOTHIOACETIC ACIDDTXCID9040895CHEBI:26952208-063-8Ethanethioic S-acidAcetyl mercaptan

Datenbank-Bezeichner

CAS
507-09-5
PubChem CID
10484
DTXSID
DTXSID5060142
ChEBI
CHEBI:16555
UNII
PS92MLC0FQ
EC Number
208-063-8
Nikkaji
J35.909B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,3
Polarare Oberfläche (TPSA)
18,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
4

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Organic Acids

Flammable agents - 3rd degree

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2 Einträge

1.063-1.067

1.064 @25 °C

Solubility · 2 Einträge

Soluble in water, diethyl ether and acetone

Soluble (in ethanol)

Boiling Point · 3 Einträge

88.00 °C. @ 760.00 mm Hg

88-93 °C

93 °C @760 [mm Hg]

Melting Point17 °C

Physikochemische Eigenschaften

Schmelzpunkt
-17 °C · -17 °C
Siedepunkt
97 °C · 97 °C
Dichte
1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
Dampfdruck
1 hPa · 1 hPa (20 °C)
FEMA
4210 · 4210 | THIOACETIC ACID
Brechungsindex
20 · n20/D 1.465(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 6 Einträge

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 · 2 Einträge

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

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 Einträge

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

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1 Eintrag

Causes other liver changes, changes in urine composition, and hypoglycemia in 10-week dermal studies of rats; [RTECS] A skin and eye irritant; [CAMEO] Safe when used as a flavoring agent in food; [JECFA] Causes severe skin burns and eye damage; [Sigma-Aldrich MSDS] May cause skin sensitization; May cause chemical pneumonitis; [Alfa Aesar MSDS] Search for (507-09-5[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed]

DOT ID and Guide2436 129

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

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

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation · 2 Einträge

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

Immediate precautionary measure

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 2,200 mg/m3/2hr

Sicherheitsdaten

F
13-19
wgk
3
tsca
TSCA listed
ridadr
UN 2436
hs_code
29309070
RTECS-Nr.
AJ5600000

Chemie und Industrie

Verwendung und Herstellung

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 · 2 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationEthanethioic acid: ACTIVE

Anwendungen

VerwendenThioacetic 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).

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Ergänzende Hinweise

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

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