基本情報
- CAS
4077-47-8- 標準SMILES
COC1=C(C)OC(C)C1=O- InChIKey
SIMKGHMLPVDSJE-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
Mesifurane is a member of oxolanes.
名称と識別子
- 優先名称
- 2,5-dimethyl-4-methoxy-3(2H)-furanone
- IUPAC
- 4-methoxy-2,5-dimethylfuran-3-one
- 現地名
- 2,5-ジメチル-4-メトキシ-3(2H)-フラノン
- 英語名
- 4-Methoxy-2,5-dimethyl-3(2H)-furanone
- 分子式
- C7H10O3
- 分子量
- 142.15
名称と別名
4077-47-82,5-DIMETHYL-4-METHOXY-3(2H)-FURANONE4-Methoxy-2,5-dimethylfuran-3(2H)-oneMesifurane4-Methoxy-2,5-dimethyl-3(2H)-furanoneMesifuran4-methoxy-2,5-dimethylfuran-3-one3(2H)-Furanone, 4-methoxy-2,5-dimethyl-2,5-Dimethyl-4-methoxy-2,3-dihydro-3-furanone4-Methoxy-2,5-dimethyl-2,3-dihydrofuran-3-oneFEMA No. 36643241BIM975
名称をさらに表示
2,5-ジメチル-4-メトキシ-3(2H)-フラノン2,5-ジメチル-4-メトキシフラン-3(2H)-オン4-メトキシ-2,5-ジメチルフラン-3(2H)-オン4-メトキシ-2,5-ジメチル-3(2H)-フラノンメトキシフラネオールメシフラン4-メトキシ-2,5-ジメチル-2,3-ジヒドロフラン-3-オンFEMA 3664FURANEOL METHYL ETHERMethoxyfuraneolUNII:3241BIM975FRAISION METHYL ETHERFurfuran ketone methyl ether2,5-Dimethyl-4-Methoxy-2,3-Dih
DTXSID20863316DMMF cpdRefChem:444549DTXCID60811952223-797-9MFCD002095042,5-Dimethyl 4-methoxy furan-3-one3(2H)-Furanone, 2,5-dimethyl-4-methoxy
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 0
- 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 (2,5-Dimethyl-4-methoxy-3(2H)-furanone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.091-1.097
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; Insoluble in water
Soluble (in ethanol)
Boiling Point
221.00 to 222.00 °C. @ 760.00 mm Hg
61-63 °C (0.3 mm Hg)
Refractive Index1.475-1.481
Physical DescriptionColourless liquid; Sweet, carmellic, burnt sugar, aroma
物理化学的性質
- 沸点
- 63 °C/0.3mmHg · 63°C/0.3mmHg(lit.)
- 比重(密度)
- 1.097 g/mL · 1.097 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.478(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 6.1% (90 of 1469) of reports.
Warning
H302 (93.9%): 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 1469 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3(2H)-Furanone, 4-methoxy-2,5-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (93.9%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29329990
- risk_code
- 22
- 消防法
- 危-4-3-III
- hazard_code
- Xn
- safety_code
- 24/25
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3(2H)-Furanone, 4-methoxy-2,5-dimethyl-: ACTIVE
応用分野
用途香料材料、有機合成原料。
天然物の起源Taste characteristics at 1.0–5.0 ppm:musty, vegetative,savorymeaty with a brown jamy fullnessin the aftertaste. Natural occurrence: Reported found in grape, mango, pineapple, wild raspberry, wild strawberry, (Fragaria vesca), cultivated strawberry, strawberry wine, strawberry jam, blackberries, kiwifruit and Cape gooseberry.
一般的な説明2,5-Dimethyl-4-methoxy-3(2H)-furanone is one of the key volatile aroma compounds that contribute to the characteristic aroma of strawberries.
上流・下流製品情報
上流原料
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]
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