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11-메틸도데칸올
11-메틸도데칸올 · Einecs 288-581-9 · 11-methyldodecanol · 1-Dodecanol, 11-methyl-
식별자 및 물리적 특성
| CAS No. | 27458-92-0 |
|---|---|
| 분자식 | C13H28O |
| 평균 분자량 | 200.36 g/mol |
| 단동위원소 질량 | 200.21401551 g/mol |
| SMILES | CC(C)CCCCCCCCCCO |
| InChIKey | XUJLWPFSUCHPQL-UHFFFAOYSA-N |
| PubChem CID | 33865 |
| ChEBI | CHEBI:77438 |
| EC No. | 248-469-2 |
| DTXSID | DTXSID7058676 |
| 현지명 | 11-메틸도데칸올 |
화학 및 물리적 성질
| XLogP | 5.4 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 99 |
| Physical Description | Liquid |
| 끓는 점 | 86-88 °C(Press: 0.2 Torr) |
| 밀도 | 0.831±0.06 g/cm3(Predicted) |
| 저장 조건 | Room Temperature, under inert atmosphere |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 15.20±0.10(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 황백색까지 |
| LogP(분배 계수) | 5.470 (est) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.5% (178 of 5060) of reports.WarningH315 (87.6%): Causes skin irritation [Warning Skin corrosion/irritation]H400 (95.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (92.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5060 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 178 of 5060 reports by companies.There are 14 notifications provided by 4882 of 5060 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 | Chemical: IsotridecanolIsotridecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isotridecanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2154Isotridecanol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (87.6%)Aquatic Acute 1 (95.3%)Aquatic Chronic 1 (92.1%) |
| 신호 어 | Warning |
| 유해·위험 문구 | 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302 |
용도
용도
11-Methyldodecanol in one of the Me-substituted dedecanols tested for growth-inhibitory action against 5 virulent strains of human Mycobacterium tuberculosis.