化工社化工社 化学情報印刷レポート · 研究参考用
2,2'-チオジエタノール
2,2'-チオジエタノール · チオジグリコール · ビス(2-ヒドロキシエチル)スルフィド · 2,2'-チオビス(エタノール) · 2,2'-チオビスエタノール · グリシンA · 2,2'-チオジ(エタノール) · 2-(2-ヒドロキシエチルチオ)エタノール
識別子と物理属性
| CAS No. | 111-48-8 |
|---|---|
| 分子式 | C4H10O2S |
| 平均分子量 | 122.19 g/mol |
| 単同位体質量 | 122.04015056 g/mol |
| SMILES | OCCSCCO |
| InChIKey | YODZTKMDCQEPHD-UHFFFAOYSA-N |
| PubChem CID | 5447 |
| ChEMBL | CHEMBL444480 |
| ChEBI | CHEBI:75184 |
| EC No. | 203-874-3 |
| DTXSID | DTXSID6026878 |
| 現地名 | 2,2'-チオジエタノール |
化学・物理的性質
| XLogP | -0.6 |
|---|---|
| 極性表面積 | 65.8 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 4 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 28.9 |
| 物質分類 | Other Classes -> Sulfur Compounds (Alcohols) |
| 化粧品 | Antioxidant |
| SpringerMaterials Properties | Boiling point |
| LogP（分配係数） | log Kow = -0.63-0.75 |
| 臭い | Characteristic odorOdor similar to hydrogen sulfide |
| 密度 | 1.1793 g/cu cm at 25 °CBulk density: 9.85 lb/galRelative density (water = 1): 1.181.1847 @ 20°C1.221 g/mL at 25 °C(lit.) |
| Viscosity | 0.652 cP at 20 °C |
| Color/Form | LiquidSyrupy, colorless, liquid |
| 溶解度 | In water, miscible at 20 °CMiscible with waterMiscible with ethanol, chloroform, ethyl acetatesoluble in etherslightly soluble in benzene1000 mg/mL at 20 °CSolubility in water, g/100ml at 20 °C: 100アルコール：混和性（点灯） |
| 引火点 | 113 °C (235 °F) - closed cup320 °F (160 °C) (Closed cup)160 °C o.c.>230 °F |
| 沸点 | 282 °C282.00 °C. @ 760.00 mm Hg164-166 °C20 mm Hg(lit.) |
| Decomposition | When heated to decomposition it emits highly toxic fumes of /sulfur oxide/.Decomposes on heating. This produces toxic and corrosive fumes including acetic acid fumes, hydrogen sulfide and sulfur oxides. |
| 融点 | −16 °C(lit.) |
| 蒸気圧 | 0.26Pa at 20℃ |
| 屈折率 | n20/D 1.5215(lit.) |
| 貯蔵条件 | -20°C |
| 外観・状態 | 液体 |
| pKa（酸解離定数） | 14.14±0.10(Predicted) |
| Merck | 14,9330 |
| BRN | 1236325 |
| ヘンリー定数 | 5.2×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 安定。強力な酸化剤とは相容れない。多種多様な化合物と反応します。可燃性。 |
| 化粧品成分の機能 | 抗酸化物質 |
| LogP（分配係数） | -0.75 at 25℃ |
| 表面張力 | 54mN/m at 20°C |
| CAS データベース | 111-48-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Thiodiglycol(111-48-8) |
| EPAの化学物質情報 | Ethanol, 2,2'-thiobis- (111-48-8) |
化学的特性
colourless liquid with characteristic odour.
安全性と法規制
| GHS 分類 | WarningH319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
|---|---|
| 規制情報 | Chemical: Ethanol, 2,2'-thiobis-Ethanol, 2,2'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-thiobis- 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: 03-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11663Thiodiglycol: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | Combustible. |
| 火災の可能性 | Combustible when exposed to heat or flame.Combustible. |
| 有害性の概要 | A mild eye and respiratory tract irritant[ICSC] Causes mild skin irritation and moderate eye irritation in experimental animalsNot sensitizing in guinea pig maximization testNo evidence of mutagenicityEmergency treatment: Glycols[HSDB] An eye irritant[eChemPortal: ESIS] A mild skin and moderate eye irritantCauses diffuse hepatitis and other GI and endocrine changes in subcutaneous lethal-dose study of mice[RTECS] An eye irritant[Alfa Aesar MSDS] |
| 反応性グループ | Alcohols and Polyols |
| EC 分類 | Symbol: XiR: 36S: (2) |
| Special Reports | Reddy G et alToxicity assessment of thiodiglycol. Int J Toxicol 24 (6): 435-42 (2005)Munro NB et alThe sources, fate, and toxicity of chemical warfare agent degradation products. Environ Health Perspect 107 (12): 933-74 (1999)Organization for the Prohibition of Chemical Weapons |
用途
用途
染料溶解剤、農薬、写真薬、合成潤滑剤
使用
antineoplastic, alkylating agent