Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Benzeneacetic acid, 4-ethoxy-
2-(4-ethoxyphenyl)acetic acid · ASISCHEM D13368 · VITAS-BB TBB000370 · RARECHEM AL BO 0341 · P-ETHOXY-A-TOLUIC ACID · P-ETHOXYPHENYLACETIC ACID · 4-ethoxy-benzeneaceticaci · 4-ETHOXYPHENYLACETIC ACID
식별자 및 물리적 특성
| CAS No. | 4919-33-9 |
|---|---|
| 분자식 | C10H12O3 |
| 평균 분자량 | 180.2 g/mol |
| 단동위원소 질량 | 180.07864424 g/mol |
| SMILES | CCOc1ccc(CC(=O)O)cc1 |
| InChIKey | ZVVWZNFSMIFGEP-UHFFFAOYSA-N |
| PubChem CID | 78631 |
| EC No. | 225-545-3 |
| DTXSID | DTXSID6063648 |
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 | 87-90 °C(lit.) |
| 끓는 점 | 318.5±17.0℃ (760 Torr) |
| 밀도 | 1.144±0.06 g/cm3 (20 ºC 760 Torr) |
| 굴절률 | 1.5430 (estimate) |
| 인화점 | 125.8±14.4℃ |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 4.46±0.10(Predicted) |
| 색상 | 흰색에서 베이지색 |
| BRN | 1103143 |
| InChI | InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| InChIKey | ZVVWZNFSMIFGEP-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=C(OCC)C=C1 |
| EPA | Benzeneacetic acid, 4-ethoxy- (4919-33-9) |
화학적 성질
white to beige crystalline powder
안전 및 규제
| GHS 분류 | WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (20%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29189900 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 37/39-26 |