Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
[4-(도데실옥시)-2-하이드록시페닐]페닐메탄온
[4-(도데실옥시)-2-하이드록시페닐]페닐메탄온 · UV 538 · 2-Benzoyl-5-(dodecyloxy)phenol · 2-Hydroxy-4-dodecyclobenzophenone · 2-Hydroxy-4-Dodecoxy Benzophenone · 2-Hydroxy-4-(dodecyloxy)benzophenone · 4-(DODECYLOXY)-2-HYDROXY BENZOPHENONE · (4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
![[4-(도데실옥시)-2-하이드록시페닐]페닐메탄온 분자 구조식](/img/chemical/76330.png)
식별자 및 물리적 특성
| CAS No. | 2985-59-3 |
|---|---|
| 분자식 | C25H34O3 |
| 평균 분자량 | 382.5 g/mol |
| 단동위원소 질량 | 382.25079494 g/mol |
| SMILES | CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 |
| InChIKey | ARVUDIQYNJVQIW-UHFFFAOYSA-N |
| PubChem CID | 76330 |
| EC No. | 221-049-6 |
| DTXSID | DTXSID6062755 |
| 현지명 | [4-(도데실옥시)-2-하이드록시페닐]페닐메탄온 |
화학 및 물리적 성질
| XLogP | 9 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 14 |
| 무거운 원자 수 | 28 |
| 형식 전하 | 0 |
| 복잡도 | 403 |
| 녹는점 | 49-50 °C |
| 끓는 점 | 506.3±35.0 °C(Predicted) |
| 밀도 | 1.029±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 7.58±0.35(Predicted) |
| EPA | 4-Dodecyloxy-2-hydroxybenzophenone (2985-59-3) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 11.4% (5 of 44) of reports.WarningH315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (88.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (88.6%): 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 44 reports by companies.There are 2 notifications provided by 39 of 44 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 | Chemical: Methanone, [4-(dodecyloxy)-2-hydroxyphenyl]phenyl- |
| Hazard Classes and Categories | Skin Irrit. 2 (88.6%)Eye Irrit. 2 (88.6%)STOT SE 3 (88.6%) |
| TSCA 등재 상태 | TSCA listed |
| 기존화학 물질 | KE-13002 |
제조 및 합성 방법
제조 방법
Preparation by reaction of 1-bromododecane (dodecyl bromide or lauryl bromide) with resbenzophenone in the presence of potassium carbonate in refluxing acetone for 16 h or for 20 h.