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2-エチルブチルアルデヒド
2-エチルブチルアルデヒド · 2-エチルブタナール · ジエチルアセトアルデヒド · エチルブチルアルデヒド · 2‐エチルブチルアルデヒド · 2-ETHYLBUTANAL · FEMA 2426 · 3-ethylpentanal
識別子と物理属性
| CAS No. | 97-96-1 |
|---|---|
| 分子式 | C6H12O |
| 平均分子量 | 100.16 g/mol |
| 単同位体質量 | 100.088815 g/mol |
| SMILES | CCC(C=O)CC |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
| PubChem CID | 7359 |
| ChEMBL | CHEMBL273782 |
| ChEBI | CHEBI:173345 |
| EC No. | 202-623-5 |
| DTXSID | DTXSID3049380 |
| 現地名 | 2-エチルブチルアルデヒド |
化学・物理的性質
| XLogP | 1.5 |
|---|---|
| 極性表面積 | 17.1 |
| 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 | 3 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 46.1 |
| 物質分類 | Flammable agents - 3rd degree |
| SpringerMaterials Properties | Chemical shift |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 0.808-0.8140.814 g/mL at 25 °C(lit.) |
| 香味料 | EU Flavoring substances |
| 溶解度 | miscible with alcohol, ethersoluble in water 1 ml in 50 ml(in ethanol)エーテルおよびアルコールに可溶。水にわずかに溶ける。 |
| 引火点 | 70 °F (NFPA, 2010) |
| 沸点 | 116.00 to 117.00 °C. @ 760.00 mm Hg117 °C117 °C(lit.) |
| 融点 | -89 °C-89°C |
| 屈折率 | 1.400-1.405n20/D 1.402(lit.) |
| Physical Description | 2-ethylbutyraldehyde appears as a clear colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air.colourless, mobile liquid with a pungent odour |
| FEMA | 2426 | 2-ETHYLBUTYRALDEHYDE |
| 貯蔵条件 | Flammables area |
| 外観・状態 | clear liquid |
| 色 | Colorless to Light yellow |
| 臭い | ジプロピレングリコール中10.00%。甘い緑のエーテルフルーティーココア |
| においのタイプ | 緑 |
| JECFA Number | 256 |
| BRN | 1209330 |
| ヘンリー定数 | 4.0×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| 安定性 | 安定していますが、空気に敏感です。可燃性。空気と爆発性混合物を容易に形成します。強塩基、強還元剤、酸化剤とは相容れない。 |
| InChI | 1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
| SMILES | CCC(CC)C=O |
| LogP（分配係数） | 1.73 |
| CAS データベース | 97-96-1(CAS DataBase Reference) |
| EPAの化学物質情報 | Butanal, 2-ethyl- (97-96-1) |
化学的特性
2-Ethylbutyraldehyde has a pungent odor.
安全性と法規制
| GHS 分類 | DangerH225 (13.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]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 1495 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Butanal, 2-ethyl-Butanal, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanal, 2-ethyl- 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)Butanal, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 輸送ラベル（DOT） | Flammable Liquid |
| 火災危険 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 健康有害性 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| 輸送番号・ガイド（DOT） | 1178 130 |
| 反応性グループ | Aldehydes |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 2-ETHYLBUTYRALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermicthey are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. |
用途
用途
有機合成原料。
天然物の起源
Reported found in melon, French fried potato, wheaten bread, scallops, citrus fruits, white bread and maize.
使用
2-Ethylbutyraldehyde has been used in the preparation of aldoximes using aqueous hydroxylamine.
一般的な説明
A clear colorless liquid. Flash point 70°F. Less dense than water and insoluble in water. Vapors heavier than air.