Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-Ethylamino-4-methylphenol
3-Ethylamino · 3-Ethylamino-4-kresol · 3-ETHYLAMINO-4-CRESOL · 3-(ETHYLAMINO)-P-CRESOL · 3-Ethylamino-p-cresol>3-ETHYLAMINO-4-METHYLPHENOL · 3-Ethylamino-p-cresol · 5-Ethylamino-p-cresol (OH=1) · 4-Methyl-3-ethylaminophenol.
식별자 및 물리적 특성
| CAS No. | 120-37-6 |
|---|---|
| 분자식 | C9H13NO |
| 평균 분자량 | 151.21 g/mol |
| 단동위원소 질량 | 151.09971404 g/mol |
| SMILES | CCNc1cc(O)ccc1C |
| InChIKey | CTGSQPRDMHCIMM-UHFFFAOYSA-N |
| PubChem CID | 8428 |
| ChEMBL | CHEMBL1520783 |
| EC No. | 204-391-0 |
| DTXSID | DTXSID7025269 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 32.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 116 |
| 용해도 | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Physical Description | 3-ethylamino-4-methylphenol is a purple solid. (NTP, 1992) |
| 녹는점 | 85-87 °C (lit.) |
| 끓는 점 | 135-140°C 3mm |
| 밀도 | 1.0406 (rough estimate) |
| 굴절률 | 1.5380 (estimate) |
| 인화점 | 135-140°C/3mm |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 10.66±0.18(Predicted) |
| 색상 | White to Gray to Red |
| 용해도 | 물에 불용성. |
| BRN | 3241548 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C9H13NO/c1-3-10-9-6-8(11)5-4-7(9)2/h4-6,10-11H,3H2,1-2H3 |
| InChIKey | CTGSQPRDMHCIMM-UHFFFAOYSA-N |
| SMILES | CCNc1cc(O)ccc1C |
| NIST | Phenol, 3-(ethylamino)-4-methyl-(120-37-6) |
| EPA | 3-(Ethylamino)-4-methylphenol (120-37-6) |
화학적 성질
purple solid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Phenol, 3-(ethylamino)-4-methyl- |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]: |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | An amine and phenol. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. |
| Air and Water Reactions | This compound may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water. |
| Hazard Classes and Categories |
용도
용도
3-Ethylamino-4-methylphenol was used in the synthesis of rhodol by undergoing condensation reaction with 2-(2,4-dihydroxybenzoyl)benzoic acid.
일반 설명
Purple solid.