Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
세틸클로로포르메이트
세틸클로로포르메이트 · CETYL CHLOROFORMATE · Palmityl chloroformate · HEXADECYL CHLOROFORMATE · ChloroforMate cetyl ester · HEXADECYL CHLOROCARBONATE · n-Hexadecyl chloroformate · ? Chloro hexadecyl formate
식별자 및 물리적 특성
| CAS No. | 26272-90-2 |
|---|---|
| 분자식 | C17H33ClO2 |
| 평균 분자량 | 304.9 g/mol |
| 단동위원소 질량 | 304.216908 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)Cl |
| InChIKey | HOQUWXSARQBQCW-UHFFFAOYSA-N |
| PubChem CID | 97633 |
| EC No. | 247-578-2 |
| DTXSID | DTXSID9067194 |
| 현지명 | 세틸클로로포르메이트 |
화학 및 물리적 성질
| XLogP | 8.8 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 16 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 207 |
| 녹는점 | 14 °C |
| 끓는 점 | 367.1±11.0 °C(Predicted) |
| 밀도 | 0.923 g/mL at 25 °C(lit.) |
| 증기압 | 10Pa at 20℃ |
| 굴절률 | n20/D 1.4480(lit.) |
| 인화점 | >230 °F |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| InChI | InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3 |
| InChIKey | HOQUWXSARQBQCW-UHFFFAOYSA-N |
| SMILES | C(Cl)(OCCCCCCCCCCCCCCCC)=O |
| EPA | Carbonochloridic acid, hexadecyl ester (26272-90-2) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 20% (37 of 185) of reports.WarningH290 (23.2%): May be corrosive to metals [Warning Corrosive to Metals]H315 (79.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (78.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P234, P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P390, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 37 of 185 reports by companies.There are 5 notifications provided by 148 of 185 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: Carbonochloridic acid, hexadecyl esterStatus: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11984 |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Hazard Classes and Categories | Met. Corr. 1 (23.2%)Skin Irrit. 2 (79.5%)Skin Sens. 1 (78.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29159000 |
| 위험 문구(R) | 34-43 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 6.1/8 |
용도
용도
Cetyl chloroformate combined with modified cellulose nanocrystals contributes to improving the catalytic performance of Candida albicans lipase B (CALB).