Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Cyclohexyl phenyl ketone
CYCLOHEXYL PHENYL KETONE · Cyclohexyl(phenyl)methanone · usafkf-3 · USAF KF-3 · Benzoylcyclohexan · BENZOYLCYCLOHEXANE · TIMTEC-BB SBB007832 · PHENYLCYCLOHEXYL KETONE
식별자 및 물리적 특성
| CAS No. | 712-50-5 |
|---|---|
| 분자식 | C13H16O |
| 평균 분자량 | 188.26 g/mol |
| 단동위원소 질량 | 188.12011513 g/mol |
| SMILES | O=C(c1ccccc1)C1CCCCC1 |
| InChIKey | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| PubChem CID | 12837 |
| ChEMBL | CHEMBL3188506 |
| EC No. | 211-923-5 |
| DTXSID | DTXSID5048182 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 185 |
| Kovats Retention Index | 16081586.2 |
| 녹는점 | 55-57 °C (lit.) |
| 끓는 점 | 165-168°C 20mm |
| 밀도 | 0.9671 (rough estimate) |
| 굴절률 | 1.5435 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | -20°C Freezer, Under inert atmosphere |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| 색상 | 밝은 갈색에서 갈색까지 |
| 용해도 | 18.2mg/L at 20℃ |
| BRN | 2046712 |
| InChI | 1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| SMILES | O=C(C1CCCCC1)c2ccccc2 |
| LogP(분배 계수) | 3.7 at 20℃ |
| NIST | Phenyl cyclohexyl ketone(712-50-5) |
| EPA | Methanone, cyclohexylphenyl- (712-50-5) |
화학적 성질
white to yellowish crystalline solid
안전 및 규제
| GHS 분류 | H411 (99.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.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 | Status: Active Update: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1898Methanone, cyclohexylphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Aquatic Chronic 2 (99.2%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | OB1760000 |
| 관세 코드 | 29143900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-37/39-26 |
| 기존화학 물질 | KE-09260 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Cyclohexyl phenyl ketone was used to investigate the crosslinked cyclohexyl phenyl compounds under thermal and aquathermal conditions. It was used to examine the effects of molecular changes in the benzophenone molecule on phototoxic behavior.