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n-オクタノイルクロリド
n-オクタノイルクロリド · オクタン酸クロリド · カプリリルクロリド · カプリロイルクロリド · オクタノイルクロリド · 化カプリロイル · カプリル酸クロライド · 塩化N-オクタノイル
識別子と物理属性
| CAS No. | 111-64-8 |
|---|---|
| 分子式 | C8H15ClO |
| 平均分子量 | 162.66 g/mol |
| 単同位体質量 | 162.08114278 g/mol |
| SMILES | CCCCCCCC(=O)Cl |
| InChIKey | REEZZSHJLXOIHL-UHFFFAOYSA-N |
| PubChem CID | 8124 |
| ChEMBL | CHEMBL1504663 |
| EC No. | 203-891-6 |
| DTXSID | DTXSID9024724 |
| 現地名 | n-オクタノイルクロリド |
化学・物理的性質
| XLogP | 4 |
|---|---|
| 極性表面積 | 17.1 |
| 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 | 6 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 91.3 |
| 物質分類 | Toxic Gases & Vapors -> Acid HalidesCorrosives |
| SpringerMaterials Properties | Boiling point |
| 密度 | 0.973 at 46 °F (NTP, 1992) - Less dense than waterwill float0.9535 @15°C0.953 g/mL at 25 °C (lit.) |
| 溶解度 | less than 1 mg/mL at 70 °F (NTP, 1992)soluble in Chloroform, Methanol反応する |
| 引火点 | 177 °F (NTP, 1992) |
| 沸点 | 385 °F at 760 mmHg (NTP, 1992)195.6 °C @760 [mm Hg]195 °C (lit.) |
| 融点 | -30.1 °F (NTP, 1992)-63 °C |
| 蒸気密度 | 5.6 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| 蒸気圧 | 12.7 mmHg at 77 °F22.5 mmHg at 108 °F (NTP, 1992)12.7 [mmHg]2.5 [mm Hg] @20 °C2.5 mm Hg ( 20 °C) |
| Physical Description | Caprylyl chloride is a clear colorless to straw-colored liquid with a pungent odor. (NTP, 1992)Clear colorless to straw-colored liquid with a pungent odor[CAMEO] |
| 屈折率 | n20/D 1.435(lit.) |
| 貯蔵条件 | −20°C |
| 外観・状態 | 液体 |
| 色 | クリア |
| 臭い | 刺激臭 |
| BRN | 635917 |
| 安定性 | Moisture sensitive |
| InChI | 1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3 |
| InChIKey | REEZZSHJLXOIHL-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(Cl)=O |
| CAS データベース | 111-64-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Octanoyl chloride(111-64-8) |
| EPAの化学物質情報 | Octanoyl chloride (111-64-8) |
化学的特性
clear liquid
安全性と法規制
| GHS 分類 | DangerH290 (96.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P332+P317, P333+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 167 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Octanoyl chlorideStatus: Active Update: 10-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13360Octanoyl chloride: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - Octanoyl chloride: Human health tier I assessment |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | This chemical is combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include eye and skin irritation. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Other symptoms include a burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, vomiting and lacrimation. This compound is extremely destructive to tissue of the mucous membranes, upper respiratory tract, eyes and skin. |
| 有害性の概要 | A severe skin, eye, mucous membrane, and respiratory tract irritantA lachrymator[CAMEO] Inhalation may cause chemical pneumonitis and pulmonary edema[CAMEO] CorrosiveHarmful if swallowed[MSDSonline] |
| 反応性グループ | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | CAPRYLYL CHLORIDE is incompatible with bases (including amines), water, alcohols, and with oxidizing agents (NTP, 1992). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
用途
使用
Octanoyl chloride is used to produce adhesives. It is used as an acylating agent for a variety of compounds such as sugars (e.g. Sucrose, aromatic compounds (e.g. Anisole and monoglycerides.
一般的な説明
Clear colorless to straw-colored liquid with a pungent odor.
製法・合成法
製造方法
Diphosgene (108.8 g) was added to a mixture of octanoic acid (144.2 g) and DMF (1.5 L) at 70 C°. The mixture was left to stand for 1 h, and then nitrogen was bubbled through it for 30 min at 100 C° to give 96.9% of octanoyl chloride (purity 99.99%). Benzoyl chloride and terephthaloyl chloride were similarly prepared.