基本情報
- CAS
698-10-2- 標準SMILES
CCC1OC(=O)C(O)=C1C- InChIKey
IUFQZPBIRYFPFD-UHFFFAOYSA-N- 分子式
- C7H10O3
- 平均分子量
- 142.15 g/mol
- 単同位体質量
- 142.06299418
概要
5-ethyl-3-hydroxy-4-methyl-2(5H)-furanone is a butenolide. It has a role as a metabolite.
名称と識別子
- 優先名称
- 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
- IUPAC
- 2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one
- 現地名
- 5-エチル-3-ヒドロキシ-4-メチル-2(5H)-フラノン
- 英語名
- 3-Hydroxy-4-methyl-5-ethyl-2(5H)furanone
- 分子式
- C7H10O3
- 分子量
- 142.15
名称と別名
698-10-25-Ethyl-3-hydroxy-4-methylfuran-2(5H)-one5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanonemaple furanone2(5H)-FURANONE, 5-ETHYL-3-HYDROXY-4-METHYL-2-ethyl-4-hydroxy-3-methyl-2H-furan-5-one3-hydroxy-4-methyl-5-ethyl-2-furanoneFEMA No. 3153Abhexone3-Hydroxy-4-methyl-5-ethyl-2(5H)furanoneEthyl Fenugreek Lactone4-Methyl-5-ethyl-3-hydroxyfuranone
名称をさらに表示
3-ヒドロキシ-4-メチル-5-エチルフラン-2(5H)-オン5-エチル-3-ヒドロキシ-4-メチルフラン-2(5H)-オン5-エチル-3-ヒドロキシ-4-メチル-2(5H)-フラノン4-エチル-2,4-ジヒドロキシ-3-メチル-2-ブテン酸1,4-ラクトンエチルフェヌグリークラクトンFEMA 3153Emoxyfurone5-ETHYL-3-HYDROXY-4-METHYL-5H-FURAN-2-ONEEthyl gourd
MFCD000366735-ethyl-3-hydroxy-4-methyl-2,5-dihydrofuran-2-oneSCHEMBL1209202(5H)-Furanone, 5-ethyl-3-hyroxy-4-methyl-AKOS015906625CS-W011021J007136N0NSB60971
物性
構造計算による物性
- XLogP
- 0.9
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 193
実験および物理化学的性質
FragrancesFragrance Ingredient (5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.134-1.144
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water
(in ethanol)
Boiling Point83-86 °C (0.5 mmHg)
Melting Point21 °C
Refractive Index1.486-1.493
Physical Description
Solid
yellow liquid with a maple, butterscotch odour
物理化学的性質
- 融点
- 31 · 31-35 °C(lit.)
- 沸点
- 83 · 83-86 °C0.5 mm Hg(lit.)
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
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1608) of reports.
Warning
H302 (99.9%): 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 1608 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (99.9%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3335
- hs_code
- 29322090
- safety_code
- 24/25
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Household ProductsInformation on 2 consumer products that contain 5-Ethyl-3-Hydroxy-4-Methylfuran-2-One in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-: ACTIVE
応用分野
天然物の起源Reported found in coffee.
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…