2-Ethylfuran (HCID 18554)

名称と識別子

優先名称: 2-Ethylfuran
IUPAC: 2-ethylfuran
現地名: 2-エチルフラン
英語名: 2-Ethylfuran
分子式: C6H8O
分子量: 96.13

名称と別名

2-Ethylfuran3208-16-0Furan, 2-ethyl-alpha-Ethylfuran2-EthyloxoleFEMA No. 3673T8O6J71T9ODTXSID7062906CHEBI:141565RefChem:86962DTXCID6038451221-714-0

名称をさらに表示

2-エチルフランエチルフラン, 2-2-Ethylfurane2-ethyl-furaa-ethylfuran2-ETHYL OXOLEETHYLFURAN, 2-2-Ethylfuran>2-Ethylfuran,98%

2-ETHYL FURAN2-ethyl-furan2-Ethyl furaneFuran, .alpha.-ethyl-MFCD00003259FEMA 3673CCRIS 43872-Ethylfuran; a-Ethylfuran; Furan, 2-ethyl-

データベース識別子

CAS: 3208-16-0
PubChem CID: 18554
DTXSID: DTXSID7062906
ChEMBL: CHEMBL2269084
ChEBI: CHEBI:141565
UNII: T8O6J71T9O
EC Number: 221-714-0
Nikkaji: J45.568G

物性

構造計算による物性

XLogP: 2.4
極性表面積: 13.1 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: 7
形式電荷: 0
複雑度: 52

実験および物理化学的性質

LogP2.40

Density0.909-0.915

Solubility · 2 件

Insoluble in water; Soluble in oils

Soluble (in ethanol)

Boiling Point · 2 件

92.00 to 93.00 °C. @ 765.00 mm Hg

92-93 °C

Refractive Index1.444-1.450

Physical DescriptionColourless liquid; Powerful, smoky burnt aroma

物理化学的性質

融点: -62.8 °C · -62.8°C (estimate)
沸点: 92 · 92-93 °C/768 mmHg (lit.)
比重(密度): 0.912 g/mL · 0.912 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.439(lit.)
FEMA: 3673 · 3673 | 2-ETHYLFURAN
闪点: 28 °F · 28 °F
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: liquid
比重: 0.912 · 0.912
色: Colorless to Orange to Green
臭い (Odor): 10 %。ケミカルビーニー · ジプロピレングリコール中10.00%。ケミカルビーニーエーテルのようなココアパンのようなモルティコーヒーナッツのような
においのタイプ: 化学薬品
由来生物: synthetic
JECFA Number: 1489 · 1489
BRN: 105401 · 105401
主な用途: フレーバーそして香料
InChI: 1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
InChIKey: HLPIHRDZBHXTFJ-UHFFFAOYSA-N
SMILES: CCc1ccco1
LogP: 2.4 · 2.40
CAS データベース: 3208 · 3208-16-0(CAS DataBase Reference)
NISTの化学物質情報: 2 · Furan, 2-ethyl-(3208-16-0)
EPAの化学物質情報: 2 · Furan, 2-ethyl- (3208-16-0)

化学的性質

化学的特性2-Ethylfuran has a smoky burnt odor. When dilute, it has a warm, sweet odor. It has a coffee-like flavor (aroma).

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (11.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H330 (88.9%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P280, P284, P301+P316, P303+P361+P353, P304+P340, P316, P320, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1447 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

危険有害性情報

Regulatory Information · 3 件

Chemical: Furan, 2-ethyl-

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

Furan, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (11.1%)；Acute Tox. 3 (88.9%)；Acute Tox. 2 (88.9%)

法規制情報

Regulatory Information · 3 件

Chemical: Furan, 2-ethyl-

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

Furan, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29321900
risk_code: 11
消防法: 危-4-1-II
hazard_code: F,Xi
hazard_note: Irritant
safety_code: 16-29-33-9
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

用途と製造

Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationFuran, 2-ethyl-: ACTIVE

応用分野 · 5 件

用途有機合成原料。

説明2-Ethylfuran is an empirical isomer of one of the Furanderivatives isolated from the volatile aroma of Coffee (roasted), namely 2,5-dimethylfuran. This Furan is used in imitation Coffee flavour and also occasionally in Caramel flavour. It requires considerable fixation for the latter purpose, due to the volatility of this material, while in Coffee flavor, the most volatile portion is generally the most important portion of the flavor picture. 2-Ethylfuran is produced from Furyl methyl carbinol by dehydration, followed by reduction. The carbinol is obtained by Grignard reaction on Furfural. 2-Ethylfuran is approved by the American F.D.A. as a synthetic flavor or adjuvant.

天然物の起源Reported found in tomato, coffee, peppermint and spearmint oil, Parmesan cheese, bell pepper, cooked egg, smoked fish, roasted chicken, cooked beef, cocoa, coffee, tea, pecans, filberts and soybeans.

使用2-Ethylfuran was used to investigate the gas phase products formed from the Cl atoms initiated reactions of 2-ethylfuran by in situ long-path FTIR absorption spectroscopy. It was also used in the synthesis of 4-oxo-(E)-2-hexenal via ring opening reaction using aqueous N-bromosuccinimide.

一般的な説明2-Ethylfuran undergoes tetraphenylporphin-photosensitized oxygenation in non-polar aprotic solvents via (4+2)-cycloaddition of singlet oxygen to yield the corresponding monomeric unsaturated secondary ozonide.