チオ酢酸

Thioacetic acid

HCID 10484CAS 507-09-5

基本情報

標準SMILES
CC(=O)S
InChIKey
DUYAAUVXQSMXQP-UHFFFAOYSA-N
分子式
C2H4OS
平均分子量
76.12 g/mol
単同位体質量
75.99828575

概要

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.

名称と識別子

優先名称
Thioacetic acid
IUPAC
ethanethioic S-acid
現地名
チオ酢酸
英語名
Thioacetic acid
分子式
C2H4OS
分子量
76.12

名称と別名

THIOACETIC ACID507-09-5Ethanethioic acidThiacetic acidThiolacetic acidEthanethiolic acidMethanecarbothiolic acidThionoacetic acidKyselina thiooctovaAcetic acid, thio-PS92MLC0FQDTXSID5060142
名称をさらに表示
チオ酢酸アセチルメルカプタンチ酢酸チオール酢酸エタンチオ酸S-チオ酢酸1-メルカプトアセトアルデヒドエタンチオS-酸TAACH3COSHthioaceticethanethioic O-acidliudaiyisuanTHIOESSIGSAEUREthionoaceticacid
FEMA NO. 4210RefChem:897757MONOTHIOACETIC ACIDDTXCID9040895CHEBI:26952208-063-8Ethanethioic S-acidAcetyl mercaptan

データベース識別子

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

物性

構造計算による物性

XLogP
0.3
極性表面積
18.1 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
0
重原子数
4

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Organic Acids

Flammable agents - 3rd degree

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

1.063-1.067

1.064 @25 °C

Solubility · 2 件

Soluble in water, diethyl ether and acetone

Soluble (in ethanol)

Boiling Point · 3 件

88.00 °C. @ 760.00 mm Hg

88-93 °C

93 °C @760 [mm Hg]

Melting Point17 °C

物理化学的性質

融点
-17 °C · -17 °C
沸点
97 °C · 97 °C
比重(密度)
1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
蒸気圧
1 hPa · 1 hPa (20 °C)
FEMA
4210 · 4210 | THIOACETIC ACID
屈折率
20 · n20/D 1.465(lit.)

化学的性質

化学的特性colourless fuming liquid with an unpleasant odour

化学性质悪臭のある液体.沸点88~91.5℃

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 6 件

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 件

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

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

Health Hazards · 2 件

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

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

Hazards Summary · 1 件

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

安全と保護具

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

· 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 件

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 件

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

Immediate precautionary measure

毒性情報

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

安全データ

F
13-19
wgk
3
tsca
TSCA listed
rtecs
AJ5600000
ridadr
UN 2436
毒性
LD50 orally in Rabbit: 200 - 350 mg/kg

化学と産業

用途と製造

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 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationEthanethioic acid: ACTIVE
応用分野 · 4 件

解説チオ酢酸.酢酸のO 1個をSで置換したもの.チオール形とチオン形が考えられるが,赤外吸収ではチオール形のみとみられる.無水酢酸と硫化水素とを少量の水酸化カリウムの存在下に反応させてつくる.融点-17 ℃,沸点87 ℃.d204 1.069.エタノール,エーテルに可溶.

用途希アンモニア水に溶かして硫化水素と同様に金属沈殿試薬として用いる。

使用Thioacetic 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).

一般的な説明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.

調製方法

合成方法水酢酸と硫化水素との反応で得られる

サプライヤー50 社

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]

補足説明

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

関連反応

27 件

関連ノート

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