Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2(5H)-Furanone
FURANONE · FURAN-2(5H)-ONE · Butenolide · γ-Crotonolactone · 2-Furanone · 4-Hydroxy-2-butenoic acid gamma-lactone · CARMELAN · 2-Butenolide
식별자 및 물리적 특성
| CAS No. | 497-23-4 |
|---|---|
| 분자식 | C4H4O2 |
| 평균 분자량 | 84.07 g/mol |
| 단동위원소 질량 | 84.02112937 g/mol |
| SMILES | O=C1C=CCO1 |
| InChIKey | VIHAEDVKXSOUAT-UHFFFAOYSA-N |
| PubChem CID | 10341 |
| ChEMBL | CHEMBL166223 |
| ChEBI | CHEBI:38118 |
| EC No. | 207-839-3 |
| DTXSID | DTXSID7075422 |
화학 및 물리적 성질
| XLogP | -0.6 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 93.7 |
| SpringerMaterials Properties | Chemical shift |
| LogP(분배 계수) | log Kow = -0.60 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.185 mg/L at 25 °C1.183-1.1871.185 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | Soluble in waterSoluble (in ethanol)에 용해됨클로로포름, 아세트산에틸 (약간 용해됨) |
| 인화점 | 101 °C (214 °F) (Closed cup) |
| 끓는 점 | BP: 86-87 °C at 12 mm Hg86.00 to 87.00 °C. @ 12.00 mm Hg52-53 °C86-87 °C/12 mmHg (lit.) |
| 녹는점 | 4-5 °C4.5 °C4-5 °C (lit.) |
| 굴절률 | Index of refraction: 1.469 at 20 °C/D1.466-1.472n20/D 1.469(lit.) |
| Physical Description | LiquidColourless to pale brown yellow clear liquidRich winey meat-like aroma |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| FEMA | 4138 | 4-HYDROXY-2-BUTENOIC ACID GAMMA-LACTONE |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 액체 |
| 색상 | 투명한 무색~담황색 또는 호박색 |
| 냄새 | 버터 같은 |
| 향취 유형 | 버터 같은 |
| 용해도 | 물과 섞이지 않습니다. |
| JECFA Number | 2000 |
| BRN | 383585 |
| 헨리 상수 | 3.5×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| 안정성 | 수분에 민감한 |
| InChI | 1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2 |
| InChIKey | VIHAEDVKXSOUAT-UHFFFAOYSA-N |
| SMILES | O=C1OCC=C1 |
| LogP(분배 계수) | -0.600 |
| NIST | 2(5H)-Furanone(497-23-4) |
| EPA | 2(5H)-Furanone (497-23-4) |
화학적 성질
2(5H)-Furanone is light brown liquid
안전 및 규제
| GHS 분류 | WarningH302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1476 reports by companies from 9 notifications to the ECHA C&L Inventory.H315: Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| 규제 정보 | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2(5H)-Furanone: Does not have an individual approval but may be used under an appropriate group standard |
| Toxic Combustion Products | Hazardous decomposition products formed under fire conditions. - Carbon oxides |
| Hazard Classes and Categories | Acute Tox. 4 (96.8%) |
| Firefighting Hazards | Special hazards arising from the substance or mixture: Carbon oxides |
| 소화 절차 | Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. |
| 보관 조건 | Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature: 2 - 8 °C. Light sensitive. Store under inert gas. |
| 정리 방법 | Accidental Release Measures. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.Control of environmental exposure: Do not let product enter drains. |
| 처리 방법 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality |
용도
출처
Reported found in coffee
용도
2(5H)-Furanone is a versatile reagent used in Michael addition reactions1 for synthesis of lignans.2 Also employed in three-component Michael-Aldol reactions with an aldehyde anda thiolate3 or carbanion.4
일반 설명
Chiral urea compounds catalyzed hetero-Michael addition reaction of 2(5H)-furanone (γ-crotonolactone) to pyrrolidine. The quorum sensing inhibition activity by 2(5H)-furanone was studied using bioindicator strains.