4-Ethylpyridine (HCID 10822)

名称と識別子

優先名称: 4-Ethylpyridine
IUPAC: 4-ethylpyridine
現地名: 4-エチルピリジン
英語名: 4-Ethylpyridine
分子式: C7H9N
分子量: 107.15

名称と別名

4-ETHYLPYRIDINE536-75-4Pyridine, 4-ethyl-.gamma.-EthylpyridineMFCD000064503KW0SE2TL5NSC-8224-Ethylpyridine; NSC 822; NSC 965; gamma-Ethylpyridine4-ethyl pyridine4-Ethyl-pyridine151103-55-84-(C2H5)-pyridine

名称をさらに表示

4-エチルピリジンγ-エチルピリジンエチルピリジン4-エチルピリジン, 98%ETHYLPYRIDINE4-ethyl-pyridin4-ethvlpvridineg-Ethylpyridine4-ETHANOLPYRIDINE4-Ethylpyridine>Pyridine, 4-ethyl-GAMMA-ETHYLPYRIDINE4-Ethylpyridine,98%

4-Ethylpyridine, 98%Pyridine, 4-ethyl-, radical ion(1+) (9CI)SCHEMBL142084-ETHYLPYRIDINE [MI]CHEMBL22977SCHEMBL289086SCHEMBL289087SCHEMBL738655

データベース識別子

CAS: 536-75-4、71077-16-2
PubChem CID: 10822
DTXSID: DTXSID60873555
ChEMBL: CHEMBL22977
UNII: 3KW0SE2TL5
EC Number: 208-646-7
Nikkaji: J6.706G

物性

構造計算による物性

XLogP: 1.6
極性表面積: 12.9 Å²
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: 8
形式電荷: 0
複雑度: 55.4

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesBoiling point

Flavoring AgentsEU Flavoring substances

Vapor Pressure2.27 [mmHg]

Physical DescriptionLiquid with an obnoxious odor; Turns brown if not pure; [Merck Index] Colorless to pale yellow liquid with an unpleasant odor; [Alfa Aesar MSDS]

物理化学的性質

融点: -91 °C · -91 °C
沸点: 168 °C · 168 °C (lit.)
比重(密度): 0.942 g/mL · 0.942 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.501(lit.)
闪点: 118 °F · 118 °F
貯蔵温度: Flammables area
溶解性: 107 g/リットル · 107g/リットル
外見: 液体
酸解離定数(Pka): 1 · pK1:5.87(+1) (25°C)
色: 無色透明～黄色
PH: 10 · 10 (100g/l, H2O, 20℃)
水溶解度: 34 g/リットル · 34g/リットル
Merck: 14 · 14,3849
BRN: 106481 · 106481
Henry's Law Constant: 1.2 · 1.2×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
Dielectric constant: 10.98 · 10.98
InChI: 1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3
InChIKey: VJXRKZJMGVSXPX-UHFFFAOYSA-N
SMILES: CCc1ccncc1
LogP: 1.65 · 1.650
CAS データベース: 536 · 536-75-4(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-(C2H5)-pyridine(536-75-4)
EPAの化学物質情報: 4 · 4-Ethylpyridine (536-75-4)

化学的性質 · 1 件

化学的特性clear colorless to yellowish liquid. Very powerful, sweet-green, in the pure state nauseating, in dilution slightly minty odour with sweet-herbaceous, mildly tarrypungent undertones. There is a certain similarity between the odour of mushrooms and dry-rotted wood. In suitable dilution, actually, a pleasant odour.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, 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 159 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Pyridine, 4-ethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

4-Ethylpyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [EFSA] A skin, respiratory tract, and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 3
hs_code: 29333999
risk_code: 10-36/37/38-20/21/22
化審法: (5)-3683, (9)-222
消防法: 危-4-2-III
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-16
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesPresent in California petroleum; [Merck Index] Flavoring agent that naturally occurs in pork; [EFSA]

General Manufacturing InformationPyridine, 4-ethyl-: ACTIVE

応用分野

使用4-Ethylpyridine is used to study the influence of counter-anion concentration on analyte retention.

一般的な説明4-Ethylpyridine undergoes metal-ligand interaction with Zn-porphyrin which can be studied by mass spectrometry.

調製方法

純化方法Dry 4-ethylpyridine with BaO, and fractionally distil it. Also purified by converting to the picrate, recrystalising and the free base is regenerated and distilled. [Beilstein 20/6 V 10.]