Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,4,5-Trimethoxytoluene
Benzene, 1,2,3-trimethoxy-5-methyl- · 1,2,3-Trimethoxy-5-methylbenzene · TriMethoxytoluene · 3,4,5-Trimethoxytolu · Trimethoprim Lactnte · 3,4,5-trimethoxytoluen · 3,4,5-Trimethoxytolune · 3,4,5-TRIMETHOXYTOLUENE
식별자 및 물리적 특성
| CAS No. | 6443-69-2 |
|---|---|
| 분자식 | C10H14O3 |
| 평균 분자량 | 182.22 g/mol |
| 단동위원소 질량 | 182.0942943 g/mol |
| SMILES | COc1cc(C)cc(OC)c1OC |
| InChIKey | KCIZTNZGSBSSRM-UHFFFAOYSA-N |
| PubChem CID | 80922 |
| ChEMBL | CHEMBL156710 |
| ChEBI | CHEBI:81354 |
| EC No. | 229-239-0 |
| DTXSID | DTXSID80214683 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 27.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 135 |
| Kovats Retention Index | 140014191421143514101406.514081395.114071404.82041 |
| 녹는점 | 24-26 °C (lit.) |
| 끓는 점 | 117-118 °C/5 mmHg (lit.) |
| 밀도 | 1.082 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.523(lit.) |
| 인화점 | 166 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | powder to lump to clear liquid |
| 색상 | White or Colorless to Light yellow |
| 비중 | 1.082 |
| BRN | 1953791 |
| InChI | 1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3 |
| InChIKey | KCIZTNZGSBSSRM-UHFFFAOYSA-N |
| SMILES | COc1cc(C)cc(OC)c1OC |
| LogP(분배 계수) | 1.819 (est) |
| NIST | Benzene, 1,2,3-trimethoxy-5-methyl-(6443-69-2) |
화학적 성질
CLEAR YELLOW LIQUID
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (107 of 107) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 107 of 107 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 107 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 107 of 107 reports by companies.There are 0 notifications provided by 0 of 107 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 | Status: Active Update: 20-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7738Status: Active Update: 29-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12700 |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29093090 |
| 위험 표시 | Xi |
| 안전 문구(S) | 23-24/25 |
| 기존화학 물질 | 2015-3-7159 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3,4,5-Trimethoxytoluene is a reagent for oxadiazolylindazole sodium channel modulators which are neuroprotective toward hippocampal neurons.