化工社化工社 化学情報印刷レポート · 研究参考用
1,2-エポキシテトラデカン
1,2-エポキシテトラデカン · 2-ドデシルオキシラン · ドデシルオキシラン · 1,2-テトラデシレンオキシド · 2-Dodecyloxirane · dodecyl-oxiran · dodecyl-Oxirane · 2-lauryloxirane

識別子と物理属性
| CAS No. | 3234-28-4 |
|---|---|
| 分子式 | C14H28O |
| 平均分子量 | 212.37 g/mol |
| 単同位体質量 | 212.21401551 g/mol |
| SMILES | CCCCCCCCCCCCC1CO1 |
| InChIKey | IOHJQSFEAYDZGF-UHFFFAOYSA-N |
| PubChem CID | 18604 |
| ChEMBL | CHEMBL1598368 |
| EC No. | 221-781-6 |
| DTXSID | DTXSID9025249 |
| 現地名 | 1,2-エポキシテトラデカン |
化学・物理的性質
| XLogP | 6.3 |
|---|---|
| 極性表面積 | 12.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 11 |
| 重原子数 | 15 |
| 形式電荷 | 0 |
| 複雑度 | 133 |
| 密度 | 0.847 (NTP, 1992) - Less dense than waterwill float0.845 g/mL at 25 °C (lit.) |
| 溶解度 | less than 1 mg/mL at 68 °F (NTP, 1992)130μg/L at 20℃ |
| 引火点 | greater than 235 °F (NTP, 1992)>110°C |
| 沸点 | 203 to 205 °F at 0.4 mmHg (NTP, 1992)95-96 °C/0.4 mmHg (lit.) |
| 融点 | less than 68 °F (NTP, 1992)185-186 °C (decomp) |
| Physical Description | 1,2-epoxytetradecane is a clear colorless mobile liquid with an ether-like odor. (NTP, 1992) |
| 蒸気圧 | 0.176Pa at 25℃ |
| 屈折率 | 1.4408 |
| 外観・状態 | liquid |
| 比重 | 0.845 |
| BRN | 107525 |
| InChI | InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3 |
| InChIKey | IOHJQSFEAYDZGF-UHFFFAOYSA-N |
| SMILES | O1CC1CCCCCCCCCCCC |
| LogP(分配係数) | 5.77 at 25℃ |
| CAS データベース | 3234-28-4(CAS DataBase Reference) |
| EPAの化学物質情報 | 1,2-Epoxytetradecane (3234-28-4) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.9% (5 of 175) of reports.WarningH315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (26.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (24%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (70.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (70.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 175 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 175 reports by companies.There are 9 notifications provided by 170 of 175 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. |
|---|---|
| 規制情報 | Chemical: Oxirane, dodecyl-Oxirane, 2-dodecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2-dodecyl- 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: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11734Oxirane, dodecyl-: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Long-chain alkyl oxiranes: Human health tier II assessment |
| 火災危険 | This chemical is probably combustible. (NTP, 1992) |
| 健康有害性 |
用途
用途
有機合成原料。
使用
1,2-Epoxytetradecane is used in the preparation of polymeric prodrugs used in treatments of cancer.
一般的な説明
Clear colorless mobile liquid with an ether-like odor.