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チオ酢酸
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
識別子と物理属性
| CAS No. | 507-09-5 |
|---|---|
| 分子式 | C2H4OS |
| 平均分子量 | 76.12 g/mol |
| 単同位体質量 | 75.99828575 g/mol |
| SMILES | CC(=O)S |
| InChIKey | DUYAAUVXQSMXQP-UHFFFAOYSA-N |
| PubChem CID | 10484 |
| ChEBI | CHEBI:16555 |
| EC No. | 208-063-8 |
| DTXSID | DTXSID5060142 |
| 現地名 | チオ酢酸 |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 18.1 |
| 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 |
| 形式電荷 | 0 |
| 複雑度 | 33 |
| 物質分類 | Other Classes -> Organic AcidsFlammable agents - 3rd degree |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 1.063-1.0671.064 @25 °C1.065 g/mL at 25 °C(lit.) |
| 溶解度 | Soluble in water, diethyl ether and acetoneSoluble (in ethanol)27g/l（遅分解）27 g/L (15℃) (加水分解) |
| 沸点 | 88.00 °C. @ 760.00 mm Hg88-93 °C93 °C @760 [mm Hg]97 °C |
| 融点 | 17 °C-17 °C |
| 屈折率 | 1.459-1.466n20/D 1.465(lit.) |
| 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.Yellow liquid with a pungent odor[Merck Index] Colorless or pale yellow liquid[Alfa Aesar MSDS]Pale yellow liquidCooked brown and roasted meat aroma |
| 蒸気圧 | 1 hPa (20 °C) |
| FEMA | 4210 | THIOACETIC ACID |
| 引火点 | 52 °F |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 3.33(at 25℃) |
| 色 | 無色透明～淡黄色 |
| pH | 1.8 (100g/l, H2O, 20℃)Hydrolysis |
| 臭い | プロピレングリコール中0.01%。調理され 焼かれ 肉付きが良く 燃やされて |
| においのタイプ | 肉の風味 |
| 由来生物 | synthetic |
| Merck | 14,9320 |
| JECFA Number | 1676 |
| BRN | 773684 |
| 誘電率 | 13.0(20℃) |
| 安定性 | 安定。可燃性。金属、強力な酸化剤と相容れない。 |
| InChI | 1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) |
| InChIKey | DUYAAUVXQSMXQP-UHFFFAOYSA-N |
| SMILES | CC(S)=O |
| LogP（分配係数） | 0.14 |
| CAS データベース | 507-09-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Ethanethioic acid(507-09-5) |
| EPAの化学物質情報 | Ethanethioic acid (507-09-5) |
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℃
安全性と法規制
| GHS 分類 | DangerH225 (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. |
|---|---|
| 規制情報 | Chemical: Ethanethioic acidCommission 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/12473Ethanethioic acid: HSNO Approval: HSR001051 Approved with controlsThe 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.) |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 健康有害性 | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| 有害性の概要 | 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 sensitizationMay cause chemical pneumonitis[Alfa Aesar MSDS] Search for (507-09-5[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results |
用途
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.
製法・合成法
合成方法
水酢酸と硫化水素との反応で得られる