티오초산

Thioacetic acid

HCID 10484CAS 507-09-5

기본 정보

표준 SMILES
CC(=O)S
InChIKey
DUYAAUVXQSMXQP-UHFFFAOYSA-N
분자식
C2H4OS
평균 분자량
76.12 g/mol
단동위원소 질량
75.99828575

개요

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.

이름 및 식별자

우선 이름
Thioacetic acid
IUPAC
ethanethioic S-acid
현지명
티오초산
영어명
Thioacetic acid
분자식
C2H4OS
분자량
76.12

이름 및 동의어

THIOACETIC ACID507-09-5Ethanethioic acidThiacetic acidThiolacetic acidEthanethiolic acidMethanecarbothiolic acidThionoacetic acidKyselina thiooctovaAcetic acid, thio-PS92MLC0FQDTXSID5060142
이름 더 보기
사초산에탄티온산싸이오아세트산티오초산티올초산싸이오아세트산(THIOACETICACID)TAACH3COSHthioaceticethanethioic O-acidliudaiyisuanTHIOESSIGSAEUREthionoaceticacid
FEMA NO. 4210RefChem:897757MONOTHIOACETIC ACIDDTXCID9040895CHEBI:26952208-063-8Ethanethioic S-acidAcetyl mercaptan

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.3
극성 표면적
18.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
4

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Organic Acids

Flammable agents - 3rd degree

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

1.063-1.067

1.064 @25 °C

Solubility · 2건

Soluble in water, diethyl ether and acetone

Soluble (in ethanol)

Boiling Point · 3건

88.00 °C. @ 760.00 mm Hg

88-93 °C

93 °C @760 [mm Hg]

Melting Point17 °C

물리화학적 성질

녹는점
-17 °C · -17 °C
끓는 점
97 °C · 97 °C
밀도
1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
증기압
1 hPa · 1 hPa (20 °C)
FEMA
4210 · 4210 | THIOACETIC ACID
굴절률
20 · n20/D 1.465(lit.)

화학적 성질

colourless fuming liquid with an unpleasant odour

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 6건

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 · 2건

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

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

Health Hazards · 2건

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

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

Hazards Summary · 1건

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

안전 및 보호

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

· 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 · 2건

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 · 2건

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

Immediate precautionary measure

독성 정보

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AJ5600000
ridadr
UN 2436
독성
LD50 orally in Rabbit: 200 - 350 mg/kg
HS 번호
29309070

화학 및 산업

용도 및 제조

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 · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationEthanethioic acid: ACTIVE

응용 분야

용도Thioacetic 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).

일반 설명A 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.

공급사50 곳

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]

추가 설명

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

관련 반응

27건

연결된 노트

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