Basic information
- CAS
4077-47-8- Standard SMILES
COC1=C(C)OC(C)C1=O- InChIKey
SIMKGHMLPVDSJE-UHFFFAOYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
- Monoisotopic mass
- 142.06299418
Overview
Mesifurane is a member of oxolanes.
Names & identifiers
- Preferred name
- 2,5-dimethyl-4-methoxy-3(2H)-furanone
- IUPAC
- 4-methoxy-2,5-dimethylfuran-3-one
- English name
- 4-Methoxy-2,5-dimethyl-3(2H)-furanone
- Molecular formula
- C7H10O3
- Molecular weight
- 142.15
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
4077-47-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
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
Physicochemical properties
- Boiling point
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29329990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Storage Class
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
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
Applications
OccurrenceTaste 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.
Usesflavors and fragrances
General Description2,5-Dimethyl-4-methoxy-3(2H)-furanone is one of the key volatile aroma compounds that contribute to the characteristic aroma of strawberries.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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