化工社化工社 化学情報印刷レポート · 研究参考用
2,5-ジエチルテトラヒドロフラン
2,5-ジエチルテトラヒドロフラン · Furan, 2,5-diethyltetrahydro- · FEMA 3743 · 2,5-DIETHYLTETRAHYDROFURAN
識別子と物理属性
| CAS No. | 41239-48-9 |
|---|---|
| 分子式 | C8H16O |
| 平均分子量 | 128.21 g/mol |
| 単同位体質量 | 128.12011513 g/mol |
| SMILES | CCC1CCC(CC)O1 |
| InChIKey | YKWLEIXVUHRKEF-UHFFFAOYSA-N |
| PubChem CID | 62913 |
| ChEBI | CHEBI:195849 |
| EC No. | 255-274-6 |
| DTXSID | DTXSID70866039 |
| 現地名 | 2,5-ジエチルテトラヒドロフラン |
化学・物理的性質
| XLogP | 2.5 |
|---|---|
| 極性表面積 | 9.2 |
| 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 | 2 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 70.6 |
| Solvents | Solvents -> Ethers (<C12) |
| 香料 | Fragrance Ingredient (2,5-Diethyltetrahydrofuran) -> IFRA transparency List |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 0.827-0.8330.8824 (rough estimate) |
| 香味料 | EU Flavoring substances |
| 溶解度 | slightlySoluble in oilsInsoluble in waterSoluble (in ethanol)Chloroform (Sparingly), Methanol (Slightly)Slightly soluble in water, soluble in alcohol, Propylene glycol and oils. |
| 沸点 | 116.00 °C. @ 760.00 mm Hg116 °C197.67°C (rough estimate) |
| 屈折率 | 1.401-1.4071.5000 (estimate) |
| Physical Description | LiquidColourless liquidPowerful diffusive sweet-herbaceous carmellic aroma |
| FEMA | 3743 | 2,5-DIETHYLTETRAHYDROFURAN |
| 色 | Colorless liquid |
| 臭い | フルーティー、ハーブ、ミントノート |
| においのタイプ | ハーブ |
| JECFA Number | 1453 |
| 安定性 | Volatile |
| LogP（分配係数） | 2.37 |
| EPAの化学物質情報 | 2,5-Diethyltetrahydrofuran (41239-48-9) |
化学的特性
2,5-Diethyltetrahydrofuran has a sweet, herbaceous, caramellic odor.
安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Chemical: Furan, 2,5-diethyltetrahydro-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Furan, 2,5-diethyltetrahydro-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Causes tearing and diarrhea in oral lethal-dose studies of rats[RTECS] Safe when used as a flavoring agent in food[JECFA] See Tetrahydrofuran. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| 有害作用 | Neurotoxin - Acute solvent syndrome |
| TSCA 収載状態 | TSCA listed |
用途
天然物の起源
Reported found in mint, origanum and lemon balm (Melissa officinalis L.)
使用
2,5-Diethyltetrahydrofuran can be used in analytical and biological studies for enhanced resolution of Mentha piperita volatile fraction using a novel medium-polarity ionic liquid gas chromatography stationary phase.