Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2-디하이드로-2,2,4-트리메틸퀴놀린
1,2-디하이드로-2,2,4-트리메틸퀴놀린 · 2,2,4-Trimethyl-1,2-dihydroquinoline · Quinoline, 1,2-dihydro-2,2,4-trimethyl- · Acetone anil · RALOX TMQ Monomer · Quinoline,1,2-dihydro · Trimethyl dihydroquinoline · 2,2,4-trimethyl-1H-quinoline
식별자 및 물리적 특성
| CAS No. | 147-47-7 |
|---|---|
| 분자식 | C12H15N |
| 평균 분자량 | 173.25 g/mol |
| 단동위원소 질량 | 173.12044948 g/mol |
| SMILES | CC1=CC(C)(C)Nc2ccccc21 |
| InChIKey | ZNRLMGFXSPUZNR-UHFFFAOYSA-N |
| PubChem CID | 8981 |
| ChEMBL | CHEMBL294154 |
| EC No. | 205-688-8 |
| DTXSID | DTXSID0025070 |
| 현지명 | 1,2-디하이드로-2,2,4-트리메틸퀴놀린 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 227 |
| 물질 분류 | Nitrogen Compounds -> Quinolines |
| 밀도 | 1.03 at 77 °F (NTP, 1992) - Denser than waterwill sink1.08 @ 25 °C1.0215 (rough estimate) |
| Color/Form | LIGHT TAN POWDER |
| 용해도 | less than 0.1 mg/mL at 66 °F (NTP, 1992)클로로포름(용해성), DMSO (약간 용해됨), 에틸아세테이트 (약간 용해됨) |
| 인화점 | 214 °F (NTP, 1992)101 °C |
| 끓는 점 | 491 to 500 °F at 743 mmHg (NTP, 1992)293.92°C (rough estimate) |
| Decomposition | DISASTER HAZARD: SEE QUINOLINE. DANGEROUSWHEN HEATED TO DECOMPOSITION IT EMITS TOXIC FUMES OF /NITROGEN OXIDES/. /QUINOLINE/ |
| 녹는점 | 79 to 81 °F (NTP, 1992)120 °C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | 1,2-dihydro-2,2,4-trimethylquinoline appears as dark cloudy copper-colored or yellow liquid. Odorless. (NTP, 1992)Light tan powdermp = 120 deg C[HSDB] Dark cloudy copper-colored or yellow liquidmp = 26-27 deg C[CAMEO] Amber or brown granulesmp = 80-100 deg C[Redox MSDS] |
| 굴절률 | 1.5680 (estimate) |
| 저장 조건 | 2-8°C(protect from light) |
| 물리적 상태 | 기름 |
| pKa(산도 계수) | 4.16±0.70(Predicted) |
| 색상 | 갈색에서 매우 어두운 갈색까지 |
| 안정성 | 감광성 |
| EPA | 1,2-Dihydro-2,2,4-trimethylquinoline (147-47-7) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 13.2% (14 of 106) of reports.WarningH302 (86.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Quinoline, 1,2-dihydro-2,2,4-trimethyl-Quinoline, 1,2-dihydro-2,2,4-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 화재 위험 | This chemical is combustible. (NTP, 1992) |
| 화재 가능성 | SLIGHT |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992) |
| 유해성 요약 | Weight loss, decreased hemoglobin, CNS depression, and abnormal liver function observed in rats dosed long-term by intragastric tube[HSDB] No evidence of carcinogenicity in mice or female rats and some evidence of carcinogenicity in male rats in 2-year dermal studies[NTP] Causes thymus and liver changes and weight loss in 13-week intermittent dermal study of ratsCauses changes in urine and serum composition and weight loss in 21-week intermittent inhalation study of ratsCauses impaired liver function in 30-day intermittent oral study of rats[RTECS] May cause skin sensitization, eye irritation, and respiratory tract irritation[Redox MSDS] Search for 147-47-7 AND (sensitizer OR sensitization OR allergic): no results[PubMed] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Special Reports | Toxicology & Carcinogenesis Studies of 1,2-Dihydro-2,2,4-Trimethylquinoline in F344/N Rats and B6C3F1 Mice (Dermal Studies) and the Dermal Initiation/Promotion Study in Female Sencar Mice. Technical Report Series No. 456 (1997) NIH Publication No. 97-3372 U.S. Department of Health and Human Services, National Toxicology Program, National Institute of Environmental Health Sciences, Research Triangle Park, NC 27709 |
용도
용도
1,2-Dihydro-2,2,4-trimethylquinoline is used as an antioxidant in styrene-butadiene and nitrile-butadiene rubbers and latexes. It was selected for evaluation because it is a derivative of quinoline, a known rodent carcinogen, and was regarded as having potential carcinogenic activity.
일반 설명
Dark cloudy copper-colored or yellow liquid. Odorless.