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ε-カプロラクトン
ε-カプロラクトン · Ε-カプロラクトン(モノマー) · 2-オキセパノン · εカプロラクトン · ε-ヘキサノラクトン · ε-ヘキサラクトン · Ε‐カプロラクトン(モノマー) · 6-ヘキサノリド
識別子と物理属性
| CAS No. | 502-44-3 |
|---|---|
| 分子式 | C6H10O2 |
| 平均分子量 | 114.14 g/mol |
| 単同位体質量 | 114.06807956 g/mol |
| SMILES | O=C1CCCCCO1 |
| InChIKey | PAPBSGBWRJIAAV-UHFFFAOYSA-N |
| PubChem CID | 10401 |
| ChEMBL | CHEMBL373123 |
| ChEBI | CHEBI:17915 |
| EC No. | 207-938-1 |
| DTXSID | DTXSID4027159 |
| 現地名 | ε-カプロラクトン |
化学・物理的性質
| XLogP | 0 |
|---|---|
| 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 | 0 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 88.5 |
| 物質分類 | Other Classes -> Lactones |
| SpringerMaterials Properties | Coriolis coupling |
| LogP（分配係数） | log Kow= 1.215 (calc)0.68 |
| 密度 | 1.07 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.001.0761 @ 20°C1.03 g/mL at 25 °C(lit.) |
| 溶解度 | Solubility in water: miscibleクロロホルム、酢酸エチル>1000 MG/L (20℃) |
| 引火点 | 127 °C o.c.229 °F |
| 沸点 | 237 °C215 °C @760 [mm Hg]96-97.5 °C10 mm Hg(lit.) |
| 融点 | -1.5 °C-1 °C |
| 蒸気密度 | Relative vapor density (air = 1): 3.93.9 (vs air) |
| 蒸気圧 | 0.13 [mmHg]1.35X10-1 mm Hg at 25 °CVapor pressure, Pa at 25 °C: 0.80.01 [mm Hg] @20 °C0.01 mm Hg ( 20 °C) |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI) |
| Physical Description | CBILiquidColorless liquidMiscible in water[eChemPortal: SIDSUNEP] Colorless liquid[MSDSonline]COLOURLESS HYGROSCOPIC LIQUID WITH CHARACTERISTIC ODOUR. |
| 屈折率 | n20/D 1.463(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| 色 | 無色透明、経年黄変 |
| 爆発限界 | 1.2-9%(V) |
| BRN | 106919 |
| ヘンリー定数 | 5.5×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 |
| InChIKey | PAPBSGBWRJIAAV-UHFFFAOYSA-N |
| SMILES | O=C1CCCCCO1 |
| LogP（分配係数） | 0.32 at 20℃ |
| CAS データベース | 502-44-3(CAS DataBase Reference) |
| NISTの化学物質情報 | 2-Oxepanone(502-44-3) |
| EPAの化学物質情報 | 2-Oxepanone (502-44-3) |
化学的特性
Clear colorless liquid, yellowing on ageing
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 34.5% (266 of 770) of reports.WarningH319 (60.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 770 reports by companies from 8 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: 2-OxepanoneCouncil Directive (EEC) No 109/1989 (Repealed by Reg. EC No 1935/2004 (amended))2-Oxepanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Oxepanone 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: 07-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14740Caprolactone: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | Combustible. |
| 有害性の概要 | Emergency treatment: irritants[HSDB] Rapidly hydrolyzed in the body to 6-hydroxyhexanoic acid and rapidly excreted in urineIrritating to eyesNo adverse effects in a 9-day inhalation study at 45 ppmNo evidence of reproductive effects[ToxPlanet: UNEP: SIDS] An irritant[MSDSonline] |
| Chemical Dangers | Reacts with strong bases, strong acids and strong oxidants. |
| Hazard Classes and Categories | Eye Irrit. 2A (60.1%) |
| Explosive Limits and Potential | Explosive limits , vol% in air: 1.2-9 |
| 消火 | Use powder, alcohol-resistant foam, water spray, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 応急処置措置 | Fresh air, rest.Rinse skin with plenty of water or shower.Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention. |
用途
用途
ウレタンの原料、高分子ポリエステル原料、樹脂改質剤。
用途
ε-カプロラクトンはその大部分がε-カプロラクタムの原料として消費される[3]。また、高度に特殊化したポリマーのモノマーとしても用いられる。開環重合させるとポリカプロラクトン（PCL）が生成する。
使用
ε-Caprolactone is widely used as a monomer in the manufacturing of highly specialized polymers. It is mainly utilized as a precursor to caprolactam. It finds an application in the synthesis of polyglecaprone, which is used as a suture material in surgery.
一般的な説明
ε-caprolactone is a cyclic ester. Ring opening polymerization of ε-caprolactone initiated by, tributylin n butoxide, ethyl magnesium bromide, or samarium acetate or heteropolyacid, leads to the formation of poly caprolactone (PCL).