에틸퓨란
2-에틸퓨란 · 에틸퓨란 · Furan, 2-ethyl- · FEMA 3673 · 2-Ethylfurane · 2-ethyl-fura · a-ethylfuran · 2-ETHYLFURAN
식별자 및 물리적 특성
| CAS No. | 3208-16-0 |
|---|---|
| 분자식 | C6H8O |
| 평균 분자량 | 96.13 g/mol |
| 단동위원소 질량 | 96.05751487 g/mol |
| SMILES | CCc1ccco1 |
| InChIKey | HLPIHRDZBHXTFJ-UHFFFAOYSA-N |
| PubChem CID | 18554 |
| ChEMBL | CHEMBL2269084 |
| ChEBI | CHEBI:141565 |
| EC No. | 221-714-0 |
| DTXSID | DTXSID7062906 |
| 현지명 | 에틸퓨란 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 13.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 52 |
| LogP(분배 계수) | 2.40 |
| 밀도 | 0.909-0.9150.912 g/mL at 25 °C (lit.) |
| 용해도 | Insoluble in waterSoluble in oilsSoluble (in ethanol)클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 끓는 점 | 92.00 to 93.00 °C. @ 765.00 mm Hg92-93 °C92-93 °C/768 mmHg (lit.) |
| 굴절률 | 1.444-1.450n20/D 1.439(lit.) |
| Physical Description | Colourless liquidPowerful, smoky burnt aroma |
| Kovats Retention Index | 676689.8682694733698691692684685.81687.1690705688689.6703720702713700701730704707945950955947956949952962957960964965 |
| 녹는점 | -62.8°C (estimate) |
| FEMA | 3673 | 2-ETHYLFURAN |
| 인화점 | 28 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,2-8°C |
| 물리적 상태 | liquid |
| 비중 | 0.912 |
| 색상 | Colorless to Orange to Green |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 케미컬비니 미묘한 코코아 브레디 몰티 커피 너티 |
| 향취 유형 | 화학적인 |
| 생물학적 소스 | synthetic |
| JECFA Number | 1489 |
| BRN | 105401 |
| 주요 응용 | 향료 및 향 |
| InChI | 1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3 |
| InChIKey | HLPIHRDZBHXTFJ-UHFFFAOYSA-N |
| SMILES | CCc1ccco1 |
| LogP(분배 계수) | 2.40 |
| NIST | Furan, 2-ethyl-(3208-16-0) |
| EPA | Furan, 2-ethyl- (3208-16-0) |
화학적 성질
2-Ethylfuran has a smoky burnt odor. When dilute, it has a warm, sweet odor. It has a coffee-like flavor (aroma).
안전 및 규제
| GHS 분류 | DangerH225 (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. |
|---|---|
| 규제 정보 | 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 Categories | Flam. Liq. 2 (11.1%)Acute Tox. 3 (88.9%)Acute Tox. 2 (88.9%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 관세 코드 | 29321900 |
| 위험 문구(R) | 11 |
| 위험 표시 | F,Xi |
| 안전 문구(S) | 16-29-33-9 |
| 포장분류 | II |
| 위험 등급 | 3Flam. Liq. 2 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 3 - Flammable liquids |
용도
개요
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.
출처
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.
용도
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.
일반 설명
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.
제조 및 합성 방법
제조 방법
By dehydration of furyl methyl carbinol followed by reduction.