ピリチオン亜鉛
2-メルカプトピリジン N-オキシド 亜鉛 · ピリチオン亜鉛 · 亜鉛ビス(1-オキシラトピリジニウム-2-チオラート) · 亜鉛ビス[1,2-ジヒドロ-2-チオキソピリジン-1-オラート] · ビス[[(ピリジン1-オキシド)-2-イル]チオ]亜鉛 · 亜鉛ピリチオン · ビス[(1-オキシラトピリジニウム-2-イル)チオ]亜鉛 · バンシドZP

識別子と物理属性
| CAS No. | 13463-41-7 |
|---|---|
| 分子式 | C10H8N2O2S2Zn |
| 平均分子量 | 317.7 g/mol |
| 単同位体質量 | 315.931862 g/mol |
| SMILES | [O-][n+]1ccccc1[S-].[O-][n+]1ccccc1[S-].[Zn+2] |
| InChIKey | OTPSWLRZXRHDNX-UHFFFAOYSA-L |
| PubChem CID | 26041 |
| ChEMBL | CHEMBL1200471 |
| EC No. | 236-671-3 |
| 現地名 | ピリチオン亜鉛 |
化学・物理的性質
| 極性表面積 | 52.9 |
|---|---|
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 2 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 183 |
| 化粧品 | Cosmetics ingredient -> Conditioning/EmollientOther (Specify)PreservativeAntiseborrhoeic |
| 臭い | Mild穏やかな特有の臭気 |
| 密度 | 1.782 at 25 °CBulk density: 0.35particle size: 80 to less than 20 u1.782 g/cm3(Temp: 25 °C) |
| Color/Form | Off-white powder |
| 溶解度 | Insoluble (<1 mg/ml at 70 °F) (NTP, 1992)almost transparency in Pyridine不溶性 (<0.1 g/100 mL at 21 ºC) |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides, sulfur oxides, and zinc oxide/. |
| 融点 | 240 °C, decomposesapproximate 240℃ |
| Food Contact Substances | FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | Zinc pyrithione is a fine beige granules. (NTP, 1992)Wet SolidDry Powder |
| Stability/Shelf Life | Stable at 100 °C for 120 hr |
| 蒸気圧 | 0Pa at 25℃ |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | Powder |
| 色 | White to Orange to Green |
| Merck | 14,7994 |
| 化粧品成分の機能 | 防腐剤ヘアコンディショニング抗脂漏性皮脂抑制 |
| InChI | InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8/h2*1-4,8H/q+2/p-2 |
| InChIKey | OTPSWLRZXRHDNX-UHFFFAOYSA-L |
| SMILES | C1(C=CC=C[N+]=1[O-])S[Zn]SC1C=CC=C[N+]=1[O-] |
| LogP(分配係数) | 0.9 at 25℃ and pH7.5-7.7 |
| 表面張力 | 73mN/m at 7.22mg/L and 20℃ |
| CAS データベース | 13463-41-7(CAS DataBase Reference) |
| EPAの化学物質情報 | Zinc pyrithione (13463-41-7) |
化学的特性
Beige granules
安全性と法規制
| GHS 分類 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.4% (5 of 1321) of reports.H301 (83.2%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 規制情報 | Chemical: Zinc, bis(1-hydroxy-2(1H)-pyridinethionato-O,S)-, (T-4)-Hazard Traits - Reproductive ToxicityZinc, bis[1-(hydroxy-.kappa.O)-2(1H)-pyridinethionato-.kappa.S2]-, (T-4)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Zinc, bis[1-(hydroxy-.kappa.O)-2(1H)-pyridinethionato-.kappa.S2]-, (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: Pyrithione zinc (EC: 236-671-3)Zinc pyrithione: 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 - Zinc, bis(1-hydroxy-2(1H)-pyridinethionato-O,S)-, (T-4)-: Human health tier II assessment |
| 輸送ラベル(DOT) | Poison |
| 火災危険 | Flash point data for this chemical are not available, but it is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Skin and eye irritation. |
| 反応性グループ | Salts, Basic |
| Special Reports | Wedig JH, Henderson RToxicology Profile Of The Antimicrobial Zinc Bis(1-Hydroxy-2-(1H-Pyridinethionate))Hair Res (Proc Int Congr) 1st: 565 (1981). A review with 17 references. In several studies, Zinc Bis(1-Hydroxy-2-(1H-Pyridinethionate) showed little toxicity. |
| FIFRA 要件 | As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer saftey standards, such as those described in the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. Zinc 2-pyridinethiol-1-oxide is found on List B. Case No: 2480 |
用途
用途
金属イオンの存在で錯化合物をつくり着色します. 工業用殺菌剤
用途
ふけ防止シャンプー.農業用殺菌剤 防菌?防カビ?防藻剤
用途
LC/MS・LC分析の標準品として使用
説明
Zinc pyrithione is a coordination complex of zinc and pyrithione that has antimicrobial and anticancer activities. It is active against the bacteria E. coli, S. aureus, K. pneumoniae, A. baumannii, P. aeruginosa, E. faecium, E. faecalis, and E. cloacae (MICs = 1-4 μg/ml) and the fungus P. ovale when used at concentrations ranging from 0.01 to 10 μg/ml. Zinc pyrithione reduces tumor growth in an SCC-4 mouse xenograft model when administered at a dose of 1 mg/kg per week for six weeks. Formulations containing zinc pyrithione have been used in the treatment of dandruff.
使用
Zinc pyrithione is directly cytotoxic and has antimicrobial effects. Zinc pyrithione is found in many shampoos (DHS-Zinc, Head and Shoulders) and should be applied for 5 minutes daily for 2 weeks. Zinc pyrithione is the active ingredient in several shampoos used to control dandruff and seborrheic dermatitis and is also effective in the therapy of tinea versicolor. It remains unclear whether the beneficial effects are caused by an antiproliferative or antimicrobial effect or both. It is substantive to the hair, allowing continued therapeutic effect after washing.
一般的な説明
Fine beige granules.