Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
6-아미노-o-크레솔
6-아미노-o-크레솔 · 6-아미노-o-크레솔및그염류,염모제로사용될때 · 2-amino-6-methylphenol · 6-AMINO-O-CRESOL · 2-methyl-6-aminophenol · 6- aMinocresol · ASISCHEM D50954 · 6-AMINO-ORTHO-CRESOL
식별자 및 물리적 특성
| CAS No. | 17672-22-9 |
|---|---|
| 분자식 | C7H9NO |
| 평균 분자량 | 123.15 g/mol |
| 단동위원소 질량 | 123.06841391 g/mol |
| SMILES | Cc1cccc(N)c1O |
| InChIKey | ALQKEYVDQYGZDN-UHFFFAOYSA-N |
| PubChem CID | 413657 |
| ChEMBL | CHEMBL5542658 |
| EC No. | 605-780-1 |
| DTXSID | DTXSID80170179 |
| 현지명 | 6-아미노-o-크레솔 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 46.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 94 |
| 녹는점 | 86℃ |
| 끓는 점 | 232.9±28.0 °C(Predicted) |
| 밀도 | 1.157±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C(protect from light) |
| pKa(산도 계수) | 10.10±0.10(Predicted) |
| 화장품 원료 기능 | 머리 염색 |
| 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 |
화학적 성질
Appearance:Light yellow crystal powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Chemical: Phenol, 2-amino-6-methyl- |
| 기타 안전 정보 | 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%) |
| 독성 요약 | 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 |
| 수질 위해 등급(WGK) | WGK 3 |
| 관세 코드 | 29222990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26 |
| 위험 등급 | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
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.