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クロロぎ酸 ヘキサデシル
クロロぎ酸 ヘキサデシル · クロロぎ酸ヘキサデシル · クロロぎ酸セチル · カルボノクロリド酸ヘキサデシル · ヘキサデシルクロロフォ-メ-ト · クロロ蟻酸セチル · クロロ蟻酸ヘキサデシル · クロロ炭酸ヘキサデシル
識別子と物理属性
| CAS No. | 26272-90-2 |
|---|---|
| 分子式 | C17H33ClO2 |
| 平均分子量 | 304.9 g/mol |
| 単同位体質量 | 304.216908 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)Cl |
| InChIKey | HOQUWXSARQBQCW-UHFFFAOYSA-N |
| PubChem CID | 97633 |
| EC No. | 247-578-2 |
| DTXSID | DTXSID9067194 |
| 現地名 | クロロぎ酸 ヘキサデシル |
化学・物理的性質
| XLogP | 8.8 |
|---|---|
| 極性表面積 | 26.3 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 16 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 207 |
| 融点 | 14 °C |
| 沸点 | 367.1±11.0 °C(Predicted) |
| 密度 | 0.923 g/mL at 25 °C(lit.) |
| 蒸気圧 | 10Pa at 20℃ |
| 屈折率 | n20/D 1.4480(lit.) |
| 引火点 | >230 °F |
| 外観・状態 | clear liquid |
| 色 | Colorless to Light yellow |
| InChI | InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19/h2-16H2,1H3 |
| InChIKey | HOQUWXSARQBQCW-UHFFFAOYSA-N |
| SMILES | C(Cl)(OCCCCCCCCCCCCCCCC)=O |
| CAS データベース | 26272-90-2(CAS DataBase Reference) |
| EPAの化学物質情報 | Carbonochloridic acid, hexadecyl ester (26272-90-2) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 20% (37 of 185) of reports.WarningH290 (23.2%): May be corrosive to metals [Warning Corrosive to Metals]H315 (79.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (78.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]P234, P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P390, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 185 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 37 of 185 reports by companies.There are 5 notifications provided by 148 of 185 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: Carbonochloridic acid, hexadecyl esterStatus: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11984 |
| その他の安全情報 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Hazard Classes and Categories | Met. Corr. 1 (23.2%)Skin Irrit. 2 (79.5%)Skin Sens. 1 (78.9%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 3265 8/PG 2 |
| 税関コード | 29159000 |
| 危険文句（R） | 34-43 |
| 化審法 | (2)-3549 |
| 危険表示 | C |
| 安全措置（S） | 26-36/37/39-45 |
| 危険等級 | 6.1/8 |
| 包装等級 | II |
用途
使用
Cetyl chloroformate combined with modified cellulose nanocrystals contributes to improving the catalytic performance of Candida albicans lipase B (CALB).