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ジエチレングリコールジブチルエーテル
ジエチレングリコールジブチルエーテル · ビス(2-ブトキシエチル)エーテル · 1-[2-(2-ブトキシエトキシ)エトキシ]ブタン · 5,8,11-トリオキサペンタデカン · 1,1'-オキシビス(2-ブトキシエタン) · 2,2'-ジブトキシエチルエーテル · ジブチルカルビトール · ジエチレングリコールブチルエーテル
識別子と物理属性
| CAS No. | 112-73-2 |
|---|---|
| 分子式 | C12H26O3 |
| 平均分子量 | 218.33 g/mol |
| 単同位体質量 | 218.18819469 g/mol |
| SMILES | CCCCOCCOCCOCCCC |
| InChIKey | KZVBBTZJMSWGTK-UHFFFAOYSA-N |
| PubChem CID | 8210 |
| ChEMBL | CHEMBL1485392 |
| EC No. | 204-001-9 |
| DTXSID | DTXSID8025046 |
| 現地名 | ジエチレングリコールジブチルエーテル |
化学・物理的性質
| XLogP | 1.9 |
|---|---|
| 極性表面積 | 27.7 |
| 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 | 12 |
| 重原子数 | 15 |
| 形式電荷 | 0 |
| 複雑度 | 95 |
| 密度 | 0.885 (USCG, 1999) - Less dense than waterwill float0.8853 @ 20°C0.885 g/mL at 25 °C (lit.) |
| 溶解度 | less than 1 mg/mL at 72 °F (NTP, 1992)3g/リットル0.3g/100mL(20℃) |
| 引火点 | 245 °F (NTP, 1992)245.0 °F [CAMEO] VP from ChemIDplus243 °F |
| 沸点 | 493 °F at 760 mmHg (NTP, 1992)256 °C @760 [mm Hg]256 °C (lit.) |
| 融点 | -76 °F (NTP, 1992)-60 °C (lit.) |
| 蒸気密度 | greater than 1 (NTP, 1992) (Relative to Air)>1 (vs air) |
| 蒸気圧 | 0.02 mmHg at 68 °F (NTP, 1992)0.02 [mmHg]<0.01 mm Hg ( 20 °C) |
| Physical Description | Diethylene glycol dibutyl ether is a colorless liquid. Floats on water. (USCG, 1999)Wet SolidColorless liquid that floats on water[CAMEO] |
| Kovats Retention Index | 1727 |
| 自然発火温度 | 590 °F (NTP, 1992) |
| 屈折率 | n20/D 1.423(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| 色 | 無色 |
| 比熱容量 | Cp(liquid): 2.07 J/(g·K), at 25℃ |
| BRN | 1750713 |
| ヘンリー定数 | 2.5×100 mol/(m3Pa) at 25℃, Brockbank (2013) |
| InChI | 1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3 |
| InChIKey | KZVBBTZJMSWGTK-UHFFFAOYSA-N |
| SMILES | CCCCOCCOCCOCCCC |
| LogP（分配係数） | 1.92 at 25℃ |
| CAS データベース | 112-73-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis-(112-73-2) |
| EPAの化学物質情報 | Diethylene glycol dibutyl ether (112-73-2) |
化学的特性
clear colorless to yellowish liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 94.6% (192 of 203) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 192 of 203 companies (only 5.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 203 reports by companies from 7 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 192 of 203 reports by companies.There are 5 notifications provided by 11 of 203 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: Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis-Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis- 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)S - indicates a substance that is identified in a final Significant New Use Rule.Status: Active Update: 10-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5839Butane, 1,1'-[oxybis(2,1-ethanediyloxy)]bis-: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. (USCG, 1999) |
| 健康有害性 | May be harmful by inhalation, ingestion and skin absorption. Causes eye and skin irritation. Material is irritating to mucous membrane and upper respiratory tract. (USCG, 1999) |
| 有害性の概要 | Oxidizes in air and may cause explosive peroxidesA skin and eye irritant[CAMEO] See Monoglyme. |
| 反応性グループ | Ethers |
| Reactivity Alerts |
用途
使用
Butyl diglyme is used to extract gold from hydrochloric acid solutions containing other metals. Treatment of the diglyme extract with hydrogen or oxalic acid precipitates the ionic gold as gold powder.
一般的な説明
Colorless liquid. Floats on water.
製法・合成法
純化方法
Dibutylcarbitol is freed from peroxides by slow passage through a column of activated alumina. The eluate is then shaken with Na2CO3 (to remove any remaining acidic impurities), washed with water, and stored with CaCl2 in a dark bottle [Tuck J Chem Soc 3202 1957]. [Beilstein 1 IV 2395.]