Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
6-아미노-m-크레솔
6-아미노-m-크레솔 · 2-Amino-5-methylphenol · 2-Hydroxy-4-methylaniline · Phenol, 2-amino-5-methyl- · JAROCOL 2M5AP · 6-Amino-m-cresol · 6-amino-meta-cresol · 6-Amino-m-cresol,98%
식별자 및 물리적 특성
| CAS No. | 2835-98-5 |
|---|---|
| 분자식 | C7H9NO |
| 평균 분자량 | 123.15 g/mol |
| 단동위원소 질량 | 123.06841391 g/mol |
| SMILES | Cc1ccc(N)c(O)c1 |
| InChIKey | HCPJEHJGFKWRFM-UHFFFAOYSA-N |
| PubChem CID | 76082 |
| EC No. | 220-620-7 |
| DTXSID | DTXSID20182594 |
| 현지명 | 6-아미노-m-크레솔 |
화학 및 물리적 성질
| XLogP | 1.2 |
|---|---|
| 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 |
| Kovats Retention Index | 1634 |
| 녹는점 | 160-162 °C(lit.) |
| 끓는 점 | 229.26°C (rough estimate) |
| 밀도 | 1.0877 (rough estimate) |
| 굴절률 | 1.5380 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 9.87±0.10(Predicted) |
| 색상 | 베이지부터 다크 베이지까지 |
| 용해도 | 녹는 |
| BRN | 386144 |
| 안정성 | 흡습성 |
| 화장품 원료 기능 | 머리 염색 |
| InChI | 1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3 |
| InChIKey | HCPJEHJGFKWRFM-UHFFFAOYSA-N |
| SMILES | Cc1ccc(N)c(O)c1 |
| LogP(분배 계수) | 0.900 (est) |
| NIST | Phenol, 2-amino-5-methyl-(2835-98-5) |
화학적 성질
Beige to brown crystal powder
안전 및 규제
| GHS 분류 | WarningH302 (62.4%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (89.9%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (42.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (89.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (89%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 109 reports by companies from 14 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-5-methyl-Phenol, 2-amino-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Phenol, 2-amino-5-methyl-: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (62.4%)Skin Irrit. 2 (89.9%)Skin Sens. 1 (42.2%)Eye Irrit. 2A (89.9%)STOT SE 3 (89%)Acute toxicity (ingestion) - category 4Germ cell mutagenicity - category 2Skin sensitisation - category 1A |
| 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-m-Cresol under the intended conditions of use as a hair dye ingredient.The available data are insufficient to support safety |
| 수질 위해 등급(WGK) | 1 |
용도
용도
2-Amino-5-methylphenol was used in the synthesis of tridentate Schiff base ligand and novel non-metallocene catalysts with phenoxy-imine ligands.
일반 설명
2-Amino-5-methylphenol reacts with bovine hemoglobin to form 2-amino-4,4α-dihydro-4α-7-dimethyl-3H-phenoxazine-3-one, which inhibits the proliferation of Poliovirus in Vero cells. It is converted to dihydrophenoxazinone by purified human hemoglobin.