Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,5-디에틸테트라히드로푸란
2,5-디에틸테트라히드로푸란 · Furan, 2,5-diethyltetrahydro- · FEMA 3743 · 2,5-DIETHYLTETRAHYDROFURAN
식별자 및 물리적 특성
| CAS No. | 41239-48-9 |
|---|---|
| 분자식 | C8H16O |
| 평균 분자량 | 128.21 g/mol |
| 단동위원소 질량 | 128.12011513 g/mol |
| SMILES | CCC1CCC(CC)O1 |
| InChIKey | YKWLEIXVUHRKEF-UHFFFAOYSA-N |
| PubChem CID | 62913 |
| ChEBI | CHEBI:195849 |
| EC No. | 255-274-6 |
| DTXSID | DTXSID70866039 |
| 현지명 | 2,5-디에틸테트라히드로푸란 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 70.6 |
| Solvents | Solvents -> Ethers (<C12) |
| 향료 | Fragrance Ingredient (2,5-Diethyltetrahydrofuran) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.827-0.8330.8824 (rough estimate) |
| 향미제 | EU Flavoring substances |
| 용해도 | slightlySoluble in oilsInsoluble in waterSoluble (in ethanol)클로로포름(소량으로 용해), 메탄올(약간 용해됨) |
| 끓는 점 | 116.00 °C. @ 760.00 mm Hg116 °C197.67°C (rough estimate) |
| 굴절률 | 1.401-1.4071.5000 (estimate) |
| Physical Description | LiquidColourless liquidPowerful diffusive sweet-herbaceous carmellic aroma |
| FEMA | 3743 | 2,5-DIETHYLTETRAHYDROFURAN |
| 색상 | Colorless liquid |
| 냄새 | 과일향, 허브향, 민트향 |
| 향취 유형 | 약초 |
| JECFA Number | 1453 |
| 안정성 | 휘발성 물질 |
| LogP(분배 계수) | 2.37 |
| EPA | 2,5-Diethyltetrahydrofuran (41239-48-9) |
화학적 성질
2,5-Diethyltetrahydrofuran has a sweet, herbaceous, caramellic odor.
안전 및 규제
| GHS 분류 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Furan, 2,5-diethyltetrahydro-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Furan, 2,5-diethyltetrahydro-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes tearing and diarrhea in oral lethal-dose studies of rats[RTECS] Safe when used as a flavoring agent in food[JECFA] See Tetrahydrofuran. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| TSCA 등재 상태 | TSCA listed |
용도
출처
Reported found in mint, origanum and lemon balm (Melissa officinalis L.)
용도
2,5-Diethyltetrahydrofuran can be used in analytical and biological studies for enhanced resolution of Mentha piperita volatile fraction using a novel medium-polarity ionic liquid gas chromatography stationary phase.