基本情報
- CAS
41239-48-9- 標準SMILES
CCC1CCC(CC)O1- InChIKey
YKWLEIXVUHRKEF-UHFFFAOYSA-N- 分子式
- C8H16O
- 平均分子量
- 128.21 g/mol
- 単同位体質量
- 128.12011513
概要
2,5-Diethyltetrahydrofuran is a member of oxolanes.
名称と識別子
- 優先名称
- 2,5-Diethyltetrahydrofuran
- IUPAC
- 2,5-diethyloxolane
- 現地名
- 2,5-ジエチルテトラヒドロフラン
- 英語名
- 2,5-DIETHYLTETRAHYDROFURAN
- 分子式
- C8H16O
- 分子量
- 128.21
名称と別名
2,5-Diethyltetrahydrofuran2,5-diethyloxolaneFuran, 2,5-diethyltetrahydro-FEMA No. 3743EINECS 255-274-6UNII-4L4S1F79CT2,5-Diethyltetrahydro-Furan4L4S1F79CT2,5-DiethyltetrahydrofuraneFEMA 3743DTXSID708660392,5-DIETHYLTETRAHYDROFURAN [FHFI]
名称をさらに表示
2,5-ジエチルテトラヒドロフラン
RefChem:82837Furan, 2,5diethyltetrahydroDTXCID40814380255-274-6YKWLEIXVUHRKEF-UHFFFAOYSA-N41239-48-92,5-diethyl tetrahydrofuranSCHEMBL872855
データベース識別子
- CAS
41239-48-9- PubChem CID
- 62913
- DTXSID
DTXSID70866039- ChEBI
CHEBI:195849- UNII
- 4L4S1F79CT
- EC Number
- 255-274-6
- Nikkaji
- J89.403F
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 9.2 Ų
- 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
- 2
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 70.6
実験および物理化学的性質
SolventsSolvents -> Ethers (<C12)
FragrancesFragrance Ingredient (2,5-Diethyltetrahydrofuran) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.827-0.833
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Soluble in oils; Insoluble in water
Soluble (in ethanol)
Boiling Point
116.00 °C. @ 760.00 mm Hg
116 °C
Refractive Index1.401-1.407
Physical Description
Liquid
Colourless liquid; Powerful diffusive sweet-herbaceous carmellic aroma
物理化学的性質
- 沸点
- 197.67 °C · 197.67°C (rough estimate)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H225 (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.
危険有害性情報
Regulatory Information
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
Hazards SummaryCauses 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 CategoriesFlam. Liq. 2 (100%)
毒性情報
Adverse EffectsNeurotoxin - Acute solvent syndrome
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationFuran, 2,5-diethyltetrahydro-: ACTIVE
応用分野
天然物の起源Reported found in mint, origanum and lemon balm (Melissa officinalis L.)
使用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.
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