化工社化工社 化学情報印刷レポート · 研究参考用
トリクロサン
2,4,4'-トリクロロ-2'-ヒドロキシジフェニルエーテル · (4-クロロ-2-ヒドロキシフェニル)(2,4-ジクロロフェニル)エーテル · 2,4-ジクロロフェニル(2-ヒドロキシ-4-クロロフェニル)エーテル · イルガサン · 2-(2,4-ジクロロフェノキシ)-5-クロロフェノール · 2,4-ジクロロフェニル(4-クロロ-2-ヒドロキシフェニル)エーテル · トリクロサン · イルガサンDP-300

識別子と物理属性
| CAS No. | 3380-34-5 |
|---|---|
| 分子式 | C12H7Cl3O2 |
| 平均分子量 | 289.5 g/mol |
| 単同位体質量 | 287.9511625 g/mol |
| SMILES | Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl |
| InChIKey | XEFQLINVKFYRCS-UHFFFAOYSA-N |
| PubChem CID | 5564 |
| ChEMBL | CHEMBL849 |
| ChEBI | CHEBI:164200 |
| EC No. | 222-182-2 |
| DTXSID | DTXSID5032498 |
| 現地名 | トリクロサン |
化学・物理的性質
| XLogP | 5 |
|---|---|
| 極性表面積 | 29.5 |
| 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 | 2 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 252 |
| 物質分類 | Other Uses -> Biocides/Disinfectants |
| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
| 化粧品 | Cosmetic ingredients (Triclosan) -> CIR (Cosmetic Ingredient Review)Preservative |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 農薬 | BiocidePesticide and(or) Waste-water effluent contaminant |
| LogP(分配係数) | log Kow = 4.764.53 |
| 臭い | Slight, faintly aromatic odor |
| Color/Form | White to off-white crystalline powder |
| 溶解度 | In water, 10 mg/L at 20 °CSlightly soluble in waterReadily soluble in alkaline solutions and many organic solventssoluble in methanol, alcohol, acetoneReadily soluble in organic solventsH2O: 20℃で可溶12g/Lエタノール、メタノール、エーテル、水酸化ナトリウム溶液 (1M) に可溶。水にわずかに溶ける。 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 沸点 | 280 to 290 °C (decomposes)290°C(lit.) |
| 融点 | 56-60 °C(lit.) |
| 密度 | 1.4214 (rough estimate) |
| 蒸気圧 | 0.001Pa at 25℃ |
| 屈折率 | 1.4521 (estimate) |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 個体 |
| pKa(酸解離定数) | 7.9(at 25℃) |
| 色 | 無色または白色 |
| 由来生物 | synthetic |
| Merck | 14,9657 |
| BRN | 2057142 |
| ヘンリー定数 | 4.7×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| 安定性 | 安定。強力な酸化剤とは相容れない。 |
| 化粧品成分の機能 | 抗菌剤防腐剤デオドラント |
| InChI | 1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H |
| InChIKey | XEFQLINVKFYRCS-UHFFFAOYSA-N |
| SMILES | Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl |
| LogP(分配係数) | 4.9 at 20℃ |
| CAS データベース | 3380-34-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Triclosan(3380-34-5) |
| EPAの化学物質情報 | Triclosan (3380-34-5) |
化学的特性
Solid
安全性と法規制
| GHS 分類 | WarningH315: Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| 規制情報 | Chemical: Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-Hazard Traits - DermatotoxicityEndocrine ToxicityImmunotoxicityCouncil Directive (EEC) No 109/1989 (Repealed by Reg. EC No 1935/2004 (amended))Triclosan is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Status: Cease Manufacture Update: 21-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/12675Triclosan: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | PEC / SN / Other assessments - Triclosan: Health and Environment |
| 有害性の概要 | Frequently used in antibacterial soaps and infrequently reported as a contact allergen and even less often as a photosensitizer[Marks, p. 235] TLV Basis is hematology effect[ACGIH] |
| FDA 要件 | Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: triclosan is included in consumer antiseptic hand wash products.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: triclosan is included in consumer antiseptic body wash products.The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed over-the-counter drug products, including triclosan, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. |
用途
用途
石鹸、洗剤、皮膚用シャンプーなどの消毒剤
説明
Triclosan is a broad-spectrum antibacterial agent that inhibits bacterial fatty acid synthesis. It is effective against Gram-negative and Gram-positive bacteria, as well as against Mycobacteria. Triclosan is used in a variety of products, including antiseptic soaps, deodorants, and hand washes.
使用
triclosan is a preservative considered to have a low sensitizing potential in leave-on preparations.
一般的な説明
Chemical structure: diphenyl ether derivative