(3-メルカプトプロピル)トリエトキシシラン
(3-メルカプトプロピル)トリエトキシシラン · (γ-メルカプトプロピル)トリエトキシシラン · 3-(トリエトキシシリル)プロパン-1-チオール · 3-(トリエトキシシリル)-1-プロパンチオール · 3-(トリエトキシシリル)1-プロパンチオール · 3-トリエトキシシリル-1-プロパンチオール · 3-メルカプトプロピルトリエトキシシラン · トリエトキシ(3-メルカプトプロピル)シラン
識別子と物理属性
| CAS No. | 14814-09-6 |
|---|---|
| 分子式 | C9H22O3SSi |
| 平均分子量 | 238.42 g/mol |
| 単同位体質量 | 238.10589209 g/mol |
| SMILES | CCO[Si](CCCS)(OCC)OCC |
| InChIKey | DCQBZYNUSLHVJC-UHFFFAOYSA-N |
| PubChem CID | 84658 |
| ChEMBL | CHEMBL3188191 |
| EC No. | 238-883-1 |
| DTXSID | DTXSID7044479 |
| 現地名 | (3-メルカプトプロピル)トリエトキシシラン |
化学・物理的性質
| 極性表面積 | 28.7 |
|---|---|
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 9 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 118 |
| 物質分類 | Metals -> Metalloid Compounds (Silicon) |
| Physical Description | LiquidColorless liquid with an unpleasant odor[Alfa Aesar MSDS] |
| 沸点 | 210 °C |
| 密度 | 0.987 g/mL at 20 °C (lit.) |
| 蒸気圧 | 0-7910Pa at 25℃ |
| 屈折率 | 1.4331 |
| 引火点 | 88°C |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | 10.39±0.10(Predicted) |
| 外観・状態 | clear liquid |
| 色 | Colorless to Almost colorless |
| 比重 | 0.932 |
| 溶解度 | 水中でゆっくりと加水分解します。 |
| BRN | 2039575 |
| InChI | 1S/C9H22O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h13H,4-9H2,1-3H3 |
| InChIKey | DCQBZYNUSLHVJC-UHFFFAOYSA-N |
| SMILES | CCO[Si](CCCS)(OCC)OCC |
| LogP（分配係数） | -1.4-2.7 at 20℃ |
| CAS データベース | 14814-09-6(CAS DataBase Reference) |
| EPAの化学物質情報 | 1-Propanethiol, 3-(triethoxysilyl)- (14814-09-6) |
化学的特性
Clear to straw liquid with unpleasant odor of sulfide.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 20.6% (52 of 253) of reports.WarningH315 (23.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 253 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 1-Propanethiol, 3-(triethoxysilyl)-1-Propanethiol, 3-(triethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol, 3-(triethoxysilyl)- 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: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/53911-Propanethiol, 3-(triethoxysilyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 有害性の概要 | Intraperitoneal LD50 (mouse) = 3,000 mg/kg[RTECS] Slowly hydrolyzed by waterA skin and strong eye irritant[Alfa Aesar MSDS] See (3-Mercaptopropyl)trimethoxysilane. |
| Hazard Classes and Categories | Skin Irrit. 2 (23.7%) |
| F | 10-13 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | TZ7760000 |
| 輸送番号（UN） | UN 3334 |
| 税関コード | 29309090 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (2)-2045 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
| 包装等級 | III |
| 危険等級 | Aquatic Chronic 2 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
使用
It can improve the properties of the mineral-filled elastomer, including modulus, tensile and tear strength, heat buildup, abrasion resistance, resilience. It can be used as a pretreatment on minerals or added at the time of compounding. Mineral-reinforced rubbers such as shoe soles, rollers, wheels, white sidewalls, wire and cable insulation are the common case (3-Mercaptopropyl)triethoxysilane, could be used in. It also finds it uses as an intermediate, in polymer and tire manufacture, and as a laboratory reagent.