에틸퓨란

2-Ethylfuran

HCID 18554CAS 3208-16-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCc1ccco1
InChIKey
HLPIHRDZBHXTFJ-UHFFFAOYSA-N
분자식
C6H8O
평균 분자량
96.13 g/mol
단동위원소 질량
96.05751487

이름 및 식별자

우선 이름
2-Ethylfuran
IUPAC
2-ethylfuran
현지명
에틸퓨란
영어명
2-Ethylfuran
분자식
C6H8O
분자량
96.13

이름 및 동의어

2-Ethylfuran3208-16-0Furan, 2-ethyl-alpha-Ethylfuran2-EthyloxoleFEMA No. 3673T8O6J71T9ODTXSID7062906CHEBI:141565RefChem:86962DTXCID6038451221-714-0
이름 더 보기
2-에틸퓨란에틸퓨란2-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-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.4
극성 표면적
13.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
7

실험 및 물리화학적 성질

LogP2.40
Density0.909-0.915
Solubility · 2건

Insoluble in water; Soluble in oils

Soluble (in ethanol)

Boiling Point · 2건

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

물리화학적 성질

녹는점
-62.8 °C · -62.8°C (estimate)
끓는 점
92 · 92-93 °C/768 mmHg (lit.)
밀도
0.912 g/mL · 0.912 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.439(lit.)
FEMA
3673 · 3673 | 2-ETHYLFURAN
인화점
28 °F · 28 °F

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

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 3건

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%)

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 2
HS 번호
29321900
risk_code
11
hazard_code
F,Xi

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationFuran, 2-ethyl-: ACTIVE
응용 분야 · 4건

개요2-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.

출처Reported 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.

용도2-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 설명2-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 방법

By dehydration of furyl methyl carbinol followed by reduction.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

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