化工社化工社 化学情報印刷レポート · 研究参考用
ドロメトリゾール
2-(2-ヒドロキシ-5-メチルフェニル)ベンゾトリアゾール · 2-(2-ヒドロキシ-5-メチルフェニル)-2H-ベンゾトリアゾール · 4-メチル-2-(2H-ベンゾトリアゾール-2-イル)フェノール · 2-(2H-ベンゾトリアゾール-2-イル)-4-メチルフェノール · ドロメトリゾール · 2-(5-メチル-2-ヒドロキシフェニル)-2H-ベンゾトリアゾール · ベナゾールP · チヌビンP
識別子と物理属性
| CAS No. | 2440-22-4 |
|---|---|
| 分子式 | C13H11N3O |
| 平均分子量 | 225.25 g/mol |
| 単同位体質量 | 225.09021198 g/mol |
| SMILES | Cc1ccc(O)c(-n2nc3ccccc3n2)c1 |
| InChIKey | MCPKSFINULVDNX-UHFFFAOYSA-N |
| PubChem CID | 17113 |
| ChEMBL | CHEMBL1564747 |
| ChEBI | CHEBI:134926 |
| EC No. | 219-470-5 |
| DTXSID | DTXSID1027479 |
| 現地名 | ドロメトリゾール |
化学・物理的性質
| XLogP | 4.3 |
|---|---|
| 極性表面積 | 50.9 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 1 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 259 |
| Physical Description | Dry PowderOther SolidLarge Crystals |
| Collision Cross Section | 155.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1027479] |
| 融点 | 125.5-129.5 °C(lit.) |
| 沸点 | bp10 225° |
| 密度 | 1.38 |
| 蒸気圧 | 0Pa at 20℃ |
| 屈折率 | 1.5600 (estimate) |
| 引火点 | 54°C |
| 貯蔵条件 | 15-25°C |
| 溶解度 | DMSO（微量）、メタノール（微量）173μg/L at 20℃ |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 8.15±0.43(Predicted) |
| 色 | オフホワイトからペールイエロー |
| Merck | 14,3447 |
| 安定性 | Hygroscopic |
| 化粧品成分の機能 | 紫外線吸収剤 |
| InChI | 1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3 |
| InChIKey | MCPKSFINULVDNX-UHFFFAOYSA-N |
| SMILES | Cc1ccc(O)c(c1)-n2nc3ccccc3n2 |
| LogP（分配係数） | 4.2 at 25℃ |
| CAS データベース | 2440-22-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-(2440-22-4) |
| EPAの化学物質情報 | 2-(2H-Benzotriazol-2-yl)-p-cresol (2440-22-4) |
化学的特性
Light yellow powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.8% (7 of 885) of reports.WarningH317 (97.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H410 (47%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H413 (46%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 885 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 7 of 885 reports by companies.There are 18 notifications provided by 878 of 885 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- 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: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300Drometrizole: 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 - Phenolic benzotriazoles: Environment tier II assessment |
| Hazard Classes and Categories | Skin Sens. 1 (97.1%)Aquatic Chronic 1 (47%)Aquatic Chronic 4 (46%)Skin sensitization - Category 1BSpecific target organ toxicity - Single exposure - Category 1 (respiratory organs)Specific target organ toxicity - Repeated exposure - Category 2 (kidney)Hazardous to the aquatic environment (Long-term) - Category 1 |
| 毒性の概要 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| 水環境危害等級（WGK） | 1 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | GO6860000 |
| 毒性 | LD50 oral in mouse: 6500mg/kg |
| 税関コード | 29339900 |
| 危険文句（R） | 36/37/38-53-43 |
| 化審法 | (5)-544 |
| 危険表示 | Xi |
| 安全措置（S） | 22-24/25-36/37 |
| 危険等級 | Aquatic Chronic 1Skin Sens. 1B |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
紫外線吸収剤、合成樹脂安定剤。
使用
Drometrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.