2,2-ジメトキシプロパン
2,2-ジメトキシプロパン · アセトンジメチルアセタール · 2，2，-ジメトキシプロパン · 2.2-ジメトキシプロパン · ジメトキシジメチルメタン · ACETONE DIMETHYL ACETAL · Propane, 2,2-dimethoxy- · 2,2-Dimethyoxypropane
識別子と物理属性
| CAS No. | 77-76-9 |
|---|---|
| 分子式 | C5H12O2 |
| 平均分子量 | 104.15 g/mol |
| 単同位体質量 | 104.08372962 g/mol |
| SMILES | COC(C)(C)OC |
| InChIKey | HEWZVZIVELJPQZ-UHFFFAOYSA-N |
| PubChem CID | 6495 |
| ChEMBL | CHEMBL3184215 |
| EC No. | 201-056-0 |
| DTXSID | DTXSID7026441 |
| 現地名 | 2,2-ジメトキシプロパン |
化学・物理的性質
| XLogP | 0.6 |
|---|---|
| 極性表面積 | 18.5 |
| 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 | 2 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 44 |
| 密度 | 0.847 @25 °C0.847 g/mL at 25 °C (lit.) |
| 沸点 | 83 °C @760 [mm Hg]83 °C (lit.) |
| 融点 | -47 °C |
| Physical Description | Clear colorless liquid[MSDSonline] |
| Kovats Retention Index | 638615616620627 |
| 蒸気密度 | 3.59 (vs air) |
| 蒸気圧 | 60 mm Hg ( 15.8 °C) |
| 屈折率 | n20/D 1.378(lit.) |
| 引火点 | 12 °F |
| 貯蔵条件 | Store below +30°C. |
| 溶解度 | 180g/リットル18g/100mL(25℃) |
| 外観・状態 | 液体 |
| 比重 | 0.852 (20/4℃) |
| 色 | 無色透明 |
| 爆発限界 | 31%, 58°F |
| BRN | 635678 |
| ヘンリー定数 | 1.4×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| 安定性 | 安定。引火性が高い - 引火点が低いことに注意してください。蒸気は空気と爆発性混合物を形成する可能性があります。空気にさらされると、爆発性の過酸化物が生成されることがあります。強力な酸化剤とは相容れない。 |
| InChI | 1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3 |
| InChIKey | HEWZVZIVELJPQZ-UHFFFAOYSA-N |
| SMILES | COC(C)(C)OC |
| 表面張力 | 21.46mN/m at 298.15K |
| CAS データベース | 77-76-9(CAS DataBase Reference) |
| NISTの化学物質情報 | 2,2-Dimethoxypropane(77-76-9) |
| EPAの化学物質情報 | Propane, 2,2-dimethoxy- (77-76-9) |
化学的特性
colourless liquid; B.P. 83℃. Ethereal odor. Soluble in alcohol, miscible with ess, oils and perfume chemicals. Stable when pure and at room temp. Decomposes into Acetone and Methanol during heating in presence of moisture or traces of mineral acid. Presumably not used in flavors. Rarely used in perfumes - for ethereal top-notes and "alcohol-like" effects. Produced synthetically via orthoformic ester or vinyl ether. Also from formiminomethyl-ether hydrochloride.
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.3% (5 of 222) of reports.DangerH225 (97.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (59%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (10.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 222 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 222 reports by companies.There are 21 notifications provided by 217 of 222 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: Propane, 2,2-dimethoxy-Status: Active Update: 28-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7384Status: Active Update: 24-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/158992,2-Dimethoxypropane: Does not have an individual approval but may be used under an appropriate group standard |
| 有害性の概要 | An eye irritant[eChemPortal: ERMA] An irritant[MSDSonline] |
| Peroxide Forming Chemical | 2,2-DimethoxypropaneD*: Other compounds that may form peroxides2 samples had 3-10 ppm peroxideage >1 yrsManagement of time-sensitive chemicals (JCHAS) |
用途
用途
有機合成原料。
用途
2,2-ジメトキシプロパン (2,2-dimethoxypropane)、別名 アセトンジメチルアセタール (acetone dimethyl acetal) は、有機化合物のひとつ。DMP と略される。アセトンとメタノールが縮合したアセタールに相当する。メチル化剤、アセトニド化剤、アセタール合成のための脱水縮合剤として用いられる。 DMPは2-メトキシプロペン合成の中間体として現れる。組織学では、DMP は動物組織の脱水にあたりエタノールよりも有効と考えられている。
使用
2,2-Dimethoxypropane(DMP) is used in histology and considered to be more efficient than ethanol for the dehydration of animal tissue.
一般的な説明
2,2-Dimethoxypropane is an organic compound, which may be used as a protecting agent in the process of the synthesis of structurally related alkaloids like narciclasine and lycoricidine using phenylbromide as the starting material.