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オクタデカン酸テトラデシル
オクタデカン酸テトラデシル · ステアリン酸テトラデシル · テトラデシル＝ステアラート · ステアリン酸ミリスチル · テトラデシル オクタデカノアート · セチルエステルワックス · MYRISTYL STEARATE · Hest MS
識別子と物理属性
| CAS No. | 17661-50-6 |
|---|---|
| 分子式 | C32H64O2 |
| 平均分子量 | 480.8 g/mol |
| 単同位体質量 | 480.49063129 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC |
| InChIKey | MHXBHWLGRWOABW-UHFFFAOYSA-N |
| PubChem CID | 28678 |
| EC No. | 241-640-2 |
| DTXSID | DTXSID1066239 |
| 現地名 | オクタデカン酸テトラデシル |
化学・物理的性質
| XLogP | 15.2 |
|---|---|
| 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 | 30 |
| 重原子数 | 34 |
| 形式電荷 | 0 |
| 複雑度 | 379 |
| 脂質 | Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701] |
| 化粧品 | Cosmetic ingredients (Myristyl Stearate) -> CIR (Cosmetic Ingredient Review)Skin conditioningEmollient |
| Physical Description | LiquidLarge Crystals |
| 融点 | 50.1 °C |
| 沸点 | 478.77°C (rough estimate) |
| 密度 | 0.8733 (rough estimate) |
| 屈折率 | 1.4806 (estimate) |
| 誘電率 | 2.2(Ambient) |
| 化粧品成分の機能 | 皮膚コンディショニング剤 - 保湿剤スキンコンディショニング |
| LogP（分配係数） | 15.051 (est) |
| EPAの化学物質情報 | Myristyl stearate (17661-50-6) |
化学的特性
Cetyl esters wax occurs as white to off-white, somewhat translucent flakes (typically in the range of 5 mm to several millimeters in the largest dimension), having a crystalline structure and a pearly luster when caked. It has a faint, aromatic odor and a bland, mild taste.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (36 of 36) of all reports.Not ClassifiedAggregated GHS information provided per 36 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: Octadecanoic acid, tetradecyl esterOctadecanoic acid, tetradecyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, tetradecyl ester 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)REACH registered substance: Tetradecyl stearate (EC: 241-640-2) |
| その他の安全情報 | IMAP assessments - Octadecanoic acid, tetradecyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| 毒性の概要 | The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.Safe for use in cosmetics, with qualifications |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 3404905160 |
製法・合成法
調製方法
Cetyl esters wax is prepared by the direct esterification of the appropriate mixtures of fatty alcohols and fatty acids.