Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Valerophenone
1-PHENYL-1-PENTANONE · Methylpropiophenone · aromatic ketone · 1-Pentanone, 1-phenyl- · n-Valerophenone · Valerophenone 99% · BUTYL PHENYL KETONE · NSC 58959
식별자 및 물리적 특성
| CAS No. | 1009-14-9 |
|---|---|
| 분자식 | C11H14O |
| 평균 분자량 | 162.23 g/mol |
| 단동위원소 질량 | 162.10446507 g/mol |
| SMILES | CCCCC(=O)c1ccccc1 |
| InChIKey | XKGLSKVNOSHTAD-UHFFFAOYSA-N |
| PubChem CID | 66093 |
| ChEMBL | CHEMBL372105 |
| ChEBI | CHEBI:36812 |
| EC No. | 213-767-3 |
| DTXSID | DTXSID0061406 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 134 |
| 끓는 점 | 245.00 °C. @ 760.00 mm Hg244-245 °C (lit.) |
| 녹는점 | -9.4 °C-9 °C |
| Physical Description | Liquid |
| Kovats Retention Index | 13271359.51355.61365.71366.21372.61373.21378.713741375137613801364 |
| 밀도 | 0.975 g/mL at 20 °C (lit.) |
| 굴절률 | n20/D 1.5143(lit.) |
| 인화점 | 217 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(적게), 에틸아세테이트(약간)에 용해됨 |
| 물리적 상태 | 액체 |
| 색상 | 투명하고 연한 노란색에서 황록색까지 |
| 비중 | 0.98 |
| 냄새 | 100.00%에서. 발삼 발레리안 |
| 향취 유형 | 발사믹 |
| 용해도 | 물에 불용성. |
| BRN | 1907717 |
| 안정성 | 안정적인. 가연성. 강한 산화제, 산, 염기, 플라스틱과 호환되지 않습니다. |
| InChI | 1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey | XKGLSKVNOSHTAD-UHFFFAOYSA-N |
| SMILES | CCCCC(=O)c1ccccc1 |
| LogP(분배 계수) | 2.79 |
| NIST | 1-Pentanone, 1-phenyl-(1009-14-9) |
| EPA | 1-Pentanone, 1-phenyl- (1009-14-9) |
화학적 성질
Valerophenone is a colorless to Light yellow to Light orange clear liquid that is soluble in organic solvents.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.WarningH315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.There is 1 notification provided by 1 of 5 reports by companies with hazard statement code(s).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: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/326871-Pentanone, 1-phenyl-: 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. |
| Hazard Classes and Categories | Skin Irrit. 2 (20%)Eye Irrit. 2A (20%)STOT SE 3 (20%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29143990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-36-26 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. It is used as intermediates of liquid crystals. It is also an inhibitor of the enzyme carbonyl reductase.