パルミチン酸無水物
パルミチン酸無水物 · 二パルミチン酸無水物 · ジパルミチン酸無水物 · ビス(パルミチン酸)無水物 · ビスヘキサデカン酸無水物 · ビスパルミチン酸無水物 · ジヘキサデカン酸無水物 · 無水パルミチン酸
識別子と物理属性
| CAS No. | 623-65-4 |
|---|---|
| 分子式 | C32H62O3 |
| 平均分子量 | 494.8 g/mol |
| 単同位体質量 | 494.46989584 g/mol |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | QWZBEFCPZJWDKC-UHFFFAOYSA-N |
| PubChem CID | 69339 |
| EC No. | 210-805-0 |
| DTXSID | DTXSID601014660 |
| 現地名 | パルミチン酸無水物 |
化学・物理的性質
| XLogP | 14.6 |
|---|---|
| 極性表面積 | 43.4 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 30 |
| 重原子数 | 35 |
| 形式電荷 | 0 |
| 複雑度 | 406 |
| 融点 | 61-64 °C (lit.) |
| 沸点 | 547.77°C (rough estimate) |
| 密度 | 0.8388 |
| 屈折率 | 1.4364 (estimate) |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 溶解度 | almost transparency in Toluene |
| 外観・状態 | powder to crystal |
| 色 | White to Almost white |
| BRN | 1807507 |
| InChI | InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3 |
| InChIKey | QWZBEFCPZJWDKC-UHFFFAOYSA-N |
| SMILES | C(=O)(CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
| LogP（分配係数） | 14.107 (est) |
| CAS データベース | 623-65-4(CAS DataBase Reference) |
| EPAの化学物質情報 | Palmitic acid anhydride (623-65-4) |
化学的特性
white powder
安全性と法規制
| GHS 分類 | DangerH290 (35.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 65 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Met. Corr. 1 (35.4%) |
| F | 10-21 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 3261 8/PG 2 |
| 税関コード | 29159000 |
| 危険文句（R） | 34 |
| 危険表示 | C |
| 安全措置（S） | 26-36/37/39-45-25 |
| 危険等級 | 8 |
| 包装等級 | III |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
Palmitic anhydride was used in the synthesis of water-soluble N-palmitoyl chitosan (PLCS) by coupling with swollen chitosan in dimethyl sulfoxide (DMSO). It was also used in the synthesis of N-acylphosphatidylserine.
一般的な説明
Palmitic anhydride reacted with 20-methyl spirolide G to form a derivative with a retention time and spectrum identical with the metabolite, 17-O-palmitoyl-20-methyl spirolide G.
製法・合成法
純化方法
It is moisture sensitive and hydrolyses in water. Purify it by refluxing with acetic anhydride for 1hour, evaporating and freeing the residue of acetic acid and anhydride by drying the residue at high vacuum and recrystallising from pet ether at low temperature. [Beilstein 2 IV 1181.]