Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Ethyl 4-hydroxyphenylacetate
EPAN-003 · AKOS 90925 · ETHYL 4-HYDROXYPHENYLACETATE · 2-(4-hydroxyphenyl)butanoate · Ethyl (p-Hydroxyphenyl)acetate · Ethyl4-Hydroxyphenylacetate>ETHYL-4-HYDROXYPHENYLACETIC ACID · Ethyl 2-(p-Hydroxyphenyl)acetate · ETHYL 2-(4-HYDROXYPHENYL)ACETATE
식별자 및 물리적 특성
| CAS No. | 17138-28-2 |
|---|---|
| 분자식 | C10H12O3 |
| 평균 분자량 | 180.2 g/mol |
| 단동위원소 질량 | 180.07864424 g/mol |
| SMILES | CCOC(=O)Cc1ccc(O)cc1 |
| InChIKey | HYUPPKVFCGIMDB-UHFFFAOYSA-N |
| PubChem CID | 28310 |
| EC No. | 241-197-5 |
| DTXSID | DTXSID0066165 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 160 |
| 녹는점 | 36-38°C |
| 끓는 점 | 187-189°C 20mm |
| 밀도 | 1.146±0.06 g/cm3(Predicted) |
| 굴절률 | 1.52 |
| 인화점 | 187-189°C/20mm |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름에 용해됨 |
| 물리적 상태 | 갈색 반고체 |
| pKa(산도 계수) | 9.84±0.15(Predicted) |
| 색상 | White or Colorless to Light yellow |
| LogP(분배 계수) | 1.760 (est) |
| NIST | Benzeneacetic acid, 4-hydroxy-, ethyl ester(17138-28-2) |
| EPA | Benzeneacetic acid, 4-hydroxy-, ethyl ester (17138-28-2) |
화학적 성질
Brown Semi-Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH315 (75%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (75%) |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2916340000 |
| 안전 문구(S) | 22-24/25 |
| 위험 등급 | IRRITANT |
용도
용도
Ethyl 4-hydroxyphenylacetate is a useful synthetic intermediate for the preparation of novel antiinflammatory agents.