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ビス[ビス(2-エチルヘキシルオキシ)ホスフィノチオイルチオ]亜鉛
ビス[ビス(2-エチルヘキシルオキシ)ホスフィノチオイルチオ]亜鉛 · ＝ビス［Ｏ，Ｏビス（２エチルヘキシル）＝ジチオホスファト］ · （T-4）-ビス［O，O-ビス（2-エチルヘキシル） ホスホロジチオアト-κS，κS’］亜鉛 · O,O-ビス(2-エチルヘキシル) {[({ビス[(2-エチルヘキシル)オキシ](スルファニリデン)-λ5-ホスファニル}スルファニル)ジンシオ]スルファニル}ホスホノチオアート · Zinc-di(2-ethylhexyl)dithiophosphate · zinc bis(2-ethylhexyl)dithiophosphate · ZINCBISOODI2ETHYLHEXYLDITHIOPHOSPHATE · Zinc bis[O,O-bis(2-ethylhexyl) dithiophosphate]
![ビス[ビス(2-エチルヘキシルオキシ)ホスフィノチオイルチオ]亜鉛 の分子構造式](/img/chemical/61339.png)
識別子と物理属性
| CAS No. | 4259-15-8 |
|---|---|
| 分子式 | C32H68O4P2S4Zn |
| 平均分子量 | 772.5 g/mol |
| 単同位体質量 | 770.276711 g/mol |
| SMILES | CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.[Zn+2] |
| InChIKey | OECQDNKCDGGPFY-UHFFFAOYSA-L |
| PubChem CID | 61339 |
| EC No. | 224-235-5 |
| DTXSID | DTXSID5027566 |
| 現地名 | ビス[ビス(2-エチルヘキシルオキシ)ホスフィノチオイルチオ]亜鉛 |
化学・物理的性質
| 極性表面積 | 103 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 8 |
| 回転可能結合数 | 28 |
| 重原子数 | 43 |
| 形式電荷 | 0 |
| 複雑度 | 255 |
| 物質分類 | Metals -> Metals, Organic Compounds |
| Physical Description | Large CrystalsLiquid[IUCLID] Amber liquid with an odor of alcohol[MSDSonline] |
| 蒸気圧 | 0-0.024Pa at 25-70℃ |
| 溶解度 | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| 外観・状態 | Viscous |
| InChI | InChI=1S/2C16H35O2PS2.Zn/c2*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2/h2*15-16H,5-14H2,1-4H3,(H,20,21)/q-2/p+2 |
| InChIKey | YVNSKXQECPVKRT-UHFFFAOYSA-P |
| SMILES | O(P1(=S[Zn+2]2(S=P(OCC(CC)CCCC)(OCC(CC)CCCC)[SH-]2)[SH-]1)OCC(CC)CCCC)CC(CC)CCCC |
| LogP（分配係数） | 3.59 at 22℃ and pH5 |
| 表面張力 | 63.7mN/m at 1.25g/L and 21℃ |
| EPAの化学物質情報 | Zinc, bis[O,O-bis(2-ethylhexyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)- (4259-15-8) |
安全性と法規制
| GHS 分類 | DangerH318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 657 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Phosphorodithioic acid, O,O-bis(2-ethylhexyl) ester, zinc saltZinc, bis[O,O-bis(2-ethylhexyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Zinc, bis[O,O-bis(2-ethylhexyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)- 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)REACH registered substance: Zinc bis[O,O-bis(2-ethylhexyl)] bis(dithiophosphate) (EC: 224-235-5)Zinc, bis[O,O-bis(2-ethylhexyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)-: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Phosphorodithioic acid, O,O-bis(2-ethylhexyl) ester, zinc salt: Human health tier I assessment |
| 有害性の概要 | A skin and eye irritant, based on animal studies[IUCLID] A moderate skin irritantA severe eye irritant that could cause permanent damage[MSDSonline] See Zinc dialkyldithiophosphates. |
| Hazard Classes and Categories | Eye Dam. 1 (88.9%) |
| TSCA 収載状態 | TSCA listed |
用途
使用
Zinc Bis(2-Ethylhexyl) Phosphorodithioate is an analytical standard with antioxidant properties.