化工社化工社 化学情報印刷レポート · 研究参考用
2-(エチルチオ)エタノール
2-(エチルチオ)エタノール · β-ヒドロキシエチルエチルスルフィド · 2-ヒドロキシエチルエチルスルフィド · エチル(2-ヒドロキシエチル)スルフィド · エチル2-ヒドロキシエチルスルフィド · 1-ヒドロキシ-2-エチルチオエタン · 2-ヒドロキシジエチルスルフィド · エチル2‐ヒドロキシエチルスルフィド
識別子と物理属性
| CAS No. | 110-77-0 |
|---|---|
| 分子式 | C4H10OS |
| 平均分子量 | 106.19 g/mol |
| 単同位体質量 | 106.04523594 g/mol |
| SMILES | CCSCCO |
| InChIKey | LNRIEBFNWGMXKP-UHFFFAOYSA-N |
| PubChem CID | 8075 |
| EC No. | 203-802-0 |
| DTXSID | DTXSID3059393 |
| 現地名 | 2-(エチルチオ)エタノール |
化学・物理的性質
| XLogP | 0.6 |
|---|---|
| 極性表面積 | 45.5 |
| 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 | 3 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 23.5 |
| 物質分類 | Other Classes -> Sulfur Compounds (Alcohols) |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 1.0166 at 20 °C/4 °C1.015-1.023 (20 °C) |
| Color/Form | Pale straw liquid |
| 溶解度 | Sol in ether, other org solventsSoluble in ethanol, very sol in acetonePractically insoluble or insoluble in waterSoluble (in ethanol)Chloroform, Ethyl Acetate (Slightly)70g/L at 25℃ |
| 沸点 | 184.5 °CBoiling point at 28 mm Hg = 99 °C180-184 °C |
| 融点 | -100 °C-100°C |
| 蒸気圧 | 0.19 [mmHg]37Pa at 25℃ |
| 屈折率 | Index of refraction: 1.4867 at 20 °C/D1.482-1.4891.4859-1.4879 |
| Physical Description | Pale straw-colored liquid[HSDB] Colorless liquid with an unpleasant odor[Alfa Aesar MSDS]Clear colourless to yellow liquidPowerful meat-like aroma |
| Other Experimental Properties | Distillation range 180-184 °C |
| FEMA | 4562 | ETHYL 2-HYDROXYETHYL SULFIDE |
| 引火点 | >110°C |
| 貯蔵条件 | Store below +30°C. |
| pKa（酸解離定数） | 14.49±0.10(Predicted) |
| 外観・状態 | 液体 |
| 色 | 無色透明～黄色 |
| 比重 | 1.020 |
| 臭い | 肉の味 |
| Merck | 14,3857 |
| JECFA Number | 1912 |
| BRN | 1731373 |
| ヘンリー定数 | 1.9×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3 |
| InChIKey | LNRIEBFNWGMXKP-UHFFFAOYSA-N |
| SMILES | S(CCO)CC |
| LogP（分配係数） | 0.7 at 25℃ |
| CAS データベース | 110-77-0(CAS DataBase Reference) |
| EPAの化学物質情報 | Ethanol, 2-(ethylthio)- (110-77-0) |
化学的特性
clear colorless to yellow liquid
安全性と法規制
| GHS 分類 | DangerH314 (95.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: Ethanol, 2-(ethylthio)-Status: Active Update: 13-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12425 |
| 有害性の概要 | A skin and severe eye irritantNo evidence of developmental toxicityEmergency treatment: Irritants[HSDB] A severe skin and eye irritant[RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[Alfa Aesar MSDS] |
| DOT Emergency Guidelines | /GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Health: TOXICinhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Corrosive liquid, NOS (2-(Ethylthio)ethanol)//GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. /Corrosive liquid, NOS (2-(Ethylthio)ethanol)//GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Corrosive liquid, NOS (2-(Ethylthio)ethanol)//GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY |
用途
使用
Organic intermediate (pesticides, plasticizers, etc.).