化工社化工社 化学情報印刷レポート · 研究参考用
2-(2-プロポキシエトキシ)エタノール
ジエチレングリコールモノプロピルエーテル · 2-(2-プロポキシエトキシ)エタノール · エタノル, 2-(2-プロポキシエトキシ)- · ポリオキシアルキレン（C2～4，8） モノアルキル（又はアルケニル）（C1～24）エーテル（n＝1～150） · propyl carbitol · Einecs 229-985-7 · Propoxyethoxy)ethanol · 2-(Propoxyethoxy)ethanol
識別子と物理属性
| CAS No. | 6881-94-3 |
|---|---|
| 分子式 | C7H16O3 |
| 平均分子量 | 148.2 g/mol |
| 単同位体質量 | 148.10994437 g/mol |
| SMILES | CCCOCCOCCO |
| InChIKey | DJCYDDALXPHSHR-UHFFFAOYSA-N |
| PubChem CID | 81313 |
| EC No. | 229-985-7 |
| DTXSID | DTXSID1027639 |
| 現地名 | 2-(2-プロポキシエトキシ)エタノール |
化学・物理的性質
| XLogP | 0.2 |
|---|---|
| 極性表面積 | 38.7 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 7 |
| 重原子数 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 56.8 |
| Solvents | Solvents -> Glycol Ethers (E Series) |
| SpringerMaterials Properties | Boiling point |
| 蒸気圧 | 0.05 [mmHg] |
| Physical Description | LiquidColorless liquid[Eastman Chemical MSDS] |
| 融点 | -15.45°C (estimate) |
| 沸点 | 212-216 °C(lit.) |
| 密度 | 0.969 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.435(lit.) |
| 引火点 | 210 °F |
| 溶解度 | water: soluble |
| pKa（酸解離定数） | 14.37±0.10(Predicted) |
| InChI | 1S/C7H16O3/c1-2-4-9-6-7-10-5-3-8/h8H,2-7H2,1H3 |
| InChIKey | DJCYDDALXPHSHR-UHFFFAOYSA-N |
| SMILES | CCCOCCOCCO |
| EPAの化学物質情報 | Ethanol, 2-(2-propoxyethoxy)- (6881-94-3) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 10.4% (5 of 48) of reports.WarningH319 (83.3%): 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 48 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | Ethanol, 2-(2-propoxyethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(2-propoxyethoxy)- 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)Ethanol, 2-(2-propoxyethoxy)-: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | Acute toxicity in rodents includes CNS depression but no systemic toxicity in inhalation studies using less than continuous exposure regimensHemolysis in sub-chronic dermal studies and kidney and liver toxicity with some hematological changes in sub-chronic oral studiesNo reproductive toxicity except one study showing testicular toxicity at very high doses[Reference #1] May form peroxidesAn eye irritant[Eastman Chemical MSDS] See GLYCOL ETHERS. |
| Hazard Classes and Categories | Eye Irrit. 2 (83.3%) |
| 有害作用 | Neurotoxin - Acute solvent syndrome |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| 危険文句（R） | 36 |
| 危険表示 | Xi |
| 安全措置（S） | 26 |
| 危険等級 | Eye Irrit. 2 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
一般的な説明
Diethylene glycol monopropyl ether (2-(2-Propoxyethoxy)ethanol) is one of the volatile organic compounds that is assumed to contribute to the aroma of Khao Dawk Mali 105 brown rice. Various thermophysical properties of diethylene glycol monopropyl ether have been derived.