Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
옥타코산산
옥타코산산 · MONTANIC ACID · HW-SW · Licowax S · Nsc407311 · Licowax SFL · montanicaci · Octacosansure
식별자 및 물리적 특성
| CAS No. | 506-48-9 |
|---|---|
| 분자식 | C28H56O2 |
| 평균 분자량 | 424.7 g/mol |
| 단동위원소 질량 | 424.42803102 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
| InChIKey | UTOPWMOLSKOLTQ-UHFFFAOYSA-N |
| PubChem CID | 10470 |
| ChEMBL | CHEMBL2261064 |
| ChEBI | CHEBI:31001 |
| EC No. | 208-041-8 |
| DTXSID | DTXSID2075051 |
| 현지명 | 옥타코산산 |
화학 및 물리적 성질
| XLogP | 12.9 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 26 |
| 무거운 원자 수 | 30 |
| 형식 전하 | 0 |
| 복잡도 | 327 |
| 녹는점 | 90.9 °C91-93 °C(lit.) |
| Physical Description | White flakes[Sigma-Aldrich MSDS]Solid |
| 끓는 점 | 466.99°C (rough estimate) |
| 밀도 | 0.8887 (rough estimate) |
| 굴절률 | 1.4772 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름: 용해성50mg/mL, 투명, 무색 |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 4.78±0.10(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| BRN | 1801616 |
| InChI | InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30) |
| InChIKey | UTOPWMOLSKOLTQ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
| EPA | Octacosanoic acid (506-48-9) |
화학적 성질
white fine crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.There is 1 notification provided by 1 of 3 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 | Octacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Not considered hazardous by GHS classification[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| 수질 위해 등급(WGK) | - |
| 관세 코드 | 2915.90.1800 |
| 기존화학 물질 | KE-26278 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Octacosanoic Acid (cas# 506-48-9) is a useful lubricant compound for preparing flame-retardant and antibacterial sound-insulating tape.
일반 설명
Octacosanoic acid is one of the components of the fruit of Hippophae rhamnoides. It is also present in the aerial part of Curcuma wenyujin.