Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Divanillin
DIVANILLIN · 5,5'-Bivanillin · Dehydrovanillin · dehydrodivanillin · 6 6'-DIHYDROXY-5 5'-DIMETHOXY-(1 1'-BIP& · 6,6'-dihydroxy-5,5'-dimethoxy-(1,1'-biphen -yl)-3 · 5,5'-Dimethoxy-6,6'-dihydroxybiphenyl-3,3'-dicarbaldehyde · 6,6'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde
식별자 및 물리적 특성
| CAS No. | 2092-49-1 |
|---|---|
| 분자식 | C16H14O6 |
| 평균 분자량 | 302.28 g/mol |
| 단동위원소 질량 | 302.07903816 g/mol |
| SMILES | COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1O |
| InChIKey | NSTQUZVZBUTVPY-UHFFFAOYSA-N |
| PubChem CID | 95086 |
| ChEMBL | CHEMBL41304 |
| EC No. | 639-022-6 |
| DTXSID | DTXSID30862830 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 93.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 351 |
| 용해도 | Practically insoluble to insoluble in watersoluble in benzyl alcoholSoluble (in ethanol)DMSO(약간), 에탄올(약간, 가열), 메탄올(약간)에 용해됨 |
| 녹는점 | 315.00 °C. @ 760.00 mm Hg315 °C(lit.) |
| Physical Description | White solidFruity vanilla aroma |
| 끓는 점 | 486.3±45.0 °C(Predicted) |
| 밀도 | 1.356±0.06 g/cm3(Predicted) |
| FEMA | 4107 | DIVANILLIN |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 6.62±0.48(Predicted) |
| 색상 | 진한 갈색에서 매우 진한 회색까지 |
| 냄새 | 100.00%에서. 과일 바닐라 |
| 향취 유형 | 바닐라 |
| JECFA Number | 1881 |
| LogP(분배 계수) | 1.57 |
화학적 성질
White solid; fruity vanilla aroma.
안전 및 규제
| GHS 분류 | WarningH302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 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. |
|---|---|
| 규제 정보 | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012) |
| Hazard Classes and Categories | Acute Tox. 4 (99.3%)Eye Irrit. 2 (100%) |
| 위험 문구(R) | 22-36 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36 |
용도
용도
Dehydrodivanillin is used as a reactant in the preparation of antioxidant phenolic diaryl hydrazones as antiangiogenic agents for atherosclerosis therapy. Also used as a taste enhancer.