Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
P-벤질페놀
P-벤질페놀 · P-BENZYLPHENOL · BENZYLPHENOL · 4-(Phenylmethyl)phenol · Phenol, 4-(phenylmethyl)- · ai3-1932 · NSC 8078 · fesiasept
식별자 및 물리적 특성
| CAS No. | 101-53-1 |
|---|---|
| 분자식 | C13H12O |
| 평균 분자량 | 184.23 g/mol |
| 단동위원소 질량 | 184.088815 g/mol |
| SMILES | Oc1ccc(Cc2ccccc2)cc1 |
| InChIKey | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
| PubChem CID | 7563 |
| ChEMBL | CHEMBL611613 |
| EC No. | 202-950-3 |
| DTXSID | DTXSID9047962 |
| 현지명 | P-벤질페놀 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 153 |
| 증기압 | 0.0000685 [mmHg] |
| Physical Description | Solid[Merck Index] White crystalline solid[Alfa Aesar MSDS] |
| Kovats Retention Index | 295.4 |
| 녹는점 | 79-81 °C(lit.) |
| 끓는 점 | 198-200 °C10 mm Hg(lit.) |
| 밀도 | 1.0120 (rough estimate) |
| 굴절률 | 1.5641 (estimate) |
| 인화점 | 320-322°C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | almost transparency in Methanol |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 10.23±0.10(Predicted) |
| 색상 | White to Light yellow to Light orange |
| 용해도 | 99.99mg/L(25℃) |
| Merck | 14,1143 |
| BRN | 1449572 |
| InChI | 1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2 |
| InChIKey | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Cc2ccccc2)cc1 |
| EPA | Phenol, 4-(phenylmethyl)- (101-53-1) |
화학적 성질
White Solid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): 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 45 reports by companies from 5 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. |
|---|---|
| 규제 정보 | Phenol, 4-(phenylmethyl)-: 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. |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] See Diphenylmethane. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SM8330500 |
| 관세 코드 | 2907.19.8000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 기존화학 물질 | KE-02818 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
4-Benzylphenol_x000D_(4-Hydroxydiphenylmethane) (cas# 101-53-1) is a compound useful in organic synthesis.