化工社化工社 化学情報印刷レポート · 研究参考用
6-アミノ-2-メチルフェノール
6-アミノ-2-メチルフェノール · 2-アミノ-6-メチルフェノール · 6-アミノ-O-クレゾール · 2-アミノ-6-メチルフェノール HYDROCHLORIDE · 2-amino-6-methylphenol · 6-AMINO-O-CRESOL · 2-methyl-6-aminophenol · 6- aMinocresol
識別子と物理属性
| CAS No. | 17672-22-9 |
|---|---|
| 分子式 | C7H9NO |
| 平均分子量 | 123.15 g/mol |
| 単同位体質量 | 123.06841391 g/mol |
| SMILES | Cc1cccc(N)c1O |
| InChIKey | ALQKEYVDQYGZDN-UHFFFAOYSA-N |
| PubChem CID | 413657 |
| ChEMBL | CHEMBL5542658 |
| EC No. | 605-780-1 |
| DTXSID | DTXSID80170179 |
| 現地名 | 6-アミノ-2-メチルフェノール |
化学・物理的性質
| XLogP | 1.5 |
|---|---|
| 極性表面積 | 46.3 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 94 |
| 融点 | 86℃ |
| 沸点 | 232.9±28.0 °C(Predicted) |
| 密度 | 1.157±0.06 g/cm3(Predicted) |
| 貯蔵条件 | 2-8°C(protect from light) |
| pKa（酸解離定数） | 10.10±0.10(Predicted) |
| 化粧品成分の機能 | ヘアカラーリング |
| InChI | 1S/C7H9NO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,8H2,1H3 |
| InChIKey | ALQKEYVDQYGZDN-UHFFFAOYSA-N |
| SMILES | Cc1cccc(N)c1O |
| CAS データベース | 17672-22-9 |
化学的特性
Appearance:Light yellow crystal powder
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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-amino-6-methyl- |
| その他の安全情報 | IMAP assessments - Chemicals with limited data availability that may be used in hair dyes overseas: Human health tier II assessmentIMAP assessments - Phenol, 2-amino-6-methyl-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| 毒性の概要 | The Expert Panel for Cosmetic Ingredient Safety concluded that the available data are insufficient to make a determination of safety for 6-Amino-o-Cresol under the intended conditions of use as a hair dye ingredient.Safe for use in cosmetics, with qualifications |
| 水環境危害等級（WGK） | WGK 3 |
| 税関コード | 29222990 |
| 危険文句（R） | 22-36/37/38 |
| 危険表示 | Xn |
| 安全措置（S） | 26 |
| 危険等級 | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
6-Amino-2-methylphenol is a colorant that has been classified as a skin sensitizer. It is used in the manufacture of inorganic pigments and other organic compounds, such as dyes and paints. 6-Amino-2-methylphenol absorbs ultraviolet radiation and reacts with chloride to form 2-amino, 6-(chloromethyl) phenol, which has been shown to have subchronic toxicity. This chemical also photodegrades in sunlight, producing free radicals that can damage cells.