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5-エチル-2-ピコリン
5-エチル-2-ピコリン · アルデヒドコリジン · アルデヒジン · 2-メチル-5-エチルピリジン · 5-エチル-2-メチルピリジン · 5-エチル-α-ピコリン · 5エチル2メチルピリジン · 3-エチル-6-メチルピリジン
識別子と物理属性
| CAS No. | 104-90-5 |
|---|---|
| 分子式 | C8H11N |
| 平均分子量 | 121.18 g/mol |
| 単同位体質量 | 121.08914935 g/mol |
| SMILES | CCc1ccc(C)nc1 |
| InChIKey | NTSLROIKFLNUIJ-UHFFFAOYSA-N |
| PubChem CID | 7728 |
| ChEMBL | CHEMBL227181 |
| ChEBI | CHEBI:179423 |
| EC No. | 203-250-0 |
| DTXSID | DTXSID7021861 |
| 現地名 | 5-エチル-2-ピコリン |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 12.9 |
| 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 | 1 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 80.6 |
| 物質分類 | Nitrogen Compounds -> PyridinesCorrosives |
| SpringerMaterials Properties | Composition |
| LogP（分配係数） | 2.39 |
| 臭い | Sharp, penetrating odorStrong aromatic odorプロピレングリコール中0.10%。ナッツのような、ピリッとした、生のジャガイモ、ローストした土っぽさ |
| 食品添加物 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 密度 | 0.922 at 68 °F (USCG, 1999) - Less dense than waterwill floatSpecific gravity: 0.9184 @ 23 °C/4 °CDensity (at 20 °C): 0.92 g/cm³Relative density of the vapour/air-mixture at °C (air = 1): 1.010.917-0.9230.919 g/mL at 25 °C (lit.) |
| 香味料 | EU Flavoring substances |
| Color/Form | Colorless liquid |
| 溶解度 | Sol in alc, ether, benzene, dilute acids, concn sulfuric acidVery soluble in acetoneIn water, 1.2 g/100 ml @ 29 °C12 mg/mL at 20 °CSolubility in water, g/l at 20 °C: 12 (moderate)Slightly soluble in water and fat12.0g/リットル実質的に不溶 |
| 引火点 | 155 °F (USCG, 1999)68 °C155 °F, 68 °C (OPEN CUP)68 °C o.c.151 °F |
| 沸点 | 352 °F at 760 mmHg (USCG, 1999)177.8 °C @ 747 mm Hg172.00 to 175.00 °C. @ 760.00 mm Hg178.3 °C172-175 °C178 °C (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke & irritating fumes. |
| 融点 | -70.9 °C |
| 蒸気密度 | 4.2 (vs air) |
| 蒸気圧 | 1.853hPa at 20℃ |
| 屈折率 | n20/D 1.497(lit.) |
| FEMA | 3546 | 5-ETHYL-2-METHYLPYRIDINE |
| 貯蔵条件 | Store below +30°C. |
| pKa（酸解離定数） | pK1:6.51(+1) (20°C) |
| 外観・状態 | clear liquid |
| 色 | Colorless to Light orange to Yellow |
| 比重 | 0.921 (20/4℃) |
| においのタイプ | ナッティ |
| 由来生物 | synthetic |
| Merck | 14,3844 |
| JECFA Number | 1318 |
| BRN | 109269 |
| ヘンリー定数 | 5.2×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 安定性 | 安定。吸湿性。可燃性。強力な酸化剤とは相容れない。 |
| InChI | 1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3 |
| InChIKey | NTSLROIKFLNUIJ-UHFFFAOYSA-N |
| SMILES | CCc1ccc(C)nc1 |
| LogP（分配係数） | 2.1 at 22℃ |
| CAS データベース | 104-90-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Pyridine, 5-ethyl-2-methyl-(104-90-5) |
| EPAの化学物質情報 | 5-Ethyl-2-methylpyridine (104-90-5) |
化学的特性
5-Ethyl-2-methylpyridine has a sharp penetrating aromatic aroma.
安全性と法規制
| GHS 分類 | DangerH302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1711 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| 規制情報 | Chemical: Pyridine, 5-ethyl-2-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyridine, 5-ethyl-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 5-ethyl-2-methyl- 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)Status: Active Update: 18-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/101745-Ethyl-2-picoline: 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） | Poison |
| 火災危険 | Special Hazards of Combustion Products: Irritating vapors are generated when heated (USCG, 1999)· Combustible material: may burn but does not ignite readily.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 68 °C explosive vapour/air mixtures may be formed. Gas/air mixtures are explosive. |
| 火災の可能性 | Flammable when exposed to heat or flame ... . |
| 健康有害性 | Breathing of vapors will cause vomiting and chest discomfort. Contact with liquid causes skin and eye burns. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 有害性の概要 |
用途
用途
有機合成原料。
用途
ニコチン酸、ニコチンアミドの合成原料
天然物の起源
Reported in dry red beans, cocoa, tea, whiskey, peppermint oil, roasted and fried chicken, cocoa, coffee and cooked shrimps.
使用
5-Ethyl-2-methylpyridine is used as specific solvent and as intermediate for several chemical reactions. Attributes PIS available on request. Please contact us. Contact
一般的な説明
A colorless to yellow liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may slightly irritate the skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
製法・合成法
製造方法
Prepared by heating acetaldehyde ammonia in a double volume of absolute alcohol; by heating ammonia water and paraldehyde in presence of ammonium acetate.