2-Methyltetrahydrofuran-3-on

Dihydro-2-methyl-3(2H)-furanone

HCID 18522CAS 3188-00-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC1OCCC1=O
InChIKey
FCWYQRVIQDNGBI-UHFFFAOYSA-N
Summenformel
C5H8O2
Durchschnittliche Molmasse
100,12 g/mol
Monoisotopische Masse
100,0524295

Überblick

Dihydro-2-methyl-3(2H)-furanone is a member of oxolanes.

Namen und Bezeichner

Bevorzugter Name
Dihydro-2-methyl-3(2H)-furanone
IUPAC
2-methyloxolan-3-one
Lokaler Name
2-Methyltetrahydrofuran-3-on
Englischer Name
2-Methyltetrahydrofuran-3-one
Summenformel
C5H8O2
Molmasse
100.12

Namen und Synonyme

2-METHYLTETRAHYDROFURAN-3-ONE3188-00-93(2H)-Furanone, dihydro-2-methyl-Dihydro-2-methyl-3(2H)-furanoneDihydro-2-methyl-3-furanone2-Methyl-3-oxotetrahydrofuran2-Methyl-3-ketotetrahydrofuranFEMA No. 33732-Methyl-2H-furan-3-oneDTXSID9047677I3703CL967DTXCID7027677
Weitere Namen anzeigen
COFFEE FURANONEFEMA 3373Dihyro-2-methyl-3(2H)-furanoneBread KetoneNatural Bread Ketone
RefChem:88395221-685-42-Methyloxolan-3-one2-Methyltetrahydro-3-furanone2-Methyl tetrahydro-3-furanoneTetrahydro-2-methylfuran-3-one2-Methyl-4,5-dihydro-3(2H)-furanone2-Methyldihydrofuran-3(2H)-one

Datenbank-Bezeichner

CAS
3188-00-9
PubChem CID
18522
DTXSID
DTXSID9047677
ChEMBL
CHEMBL3188615
ChEBI
CHEBI:173339
UNII
I3703CL967
EC Number
221-685-4
Nikkaji
J75.503F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (2-Methyltetrahydrofuran-3-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.180-1.185
Flavoring AgentsEU Flavoring substances
Solubility · 3 Einträge

slightly

Slightly soluble in oils

Soluble (in ethanol)

Boiling Point · 2 Einträge

138.00 to 139.00 °C. @ 760.00 mm Hg

139 °C

Physikochemische Eigenschaften

Siedepunkt
139 °C · 139 °C (lit.)
Dichte
1.034 g/mL · 1.034 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.429(lit.)
FEMA
3373 · 3373 | 2-METHYLTETRAHYDROFURAN-3-ONE
Flammpunkt
103 °F · 103 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 1664 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 3(2H)-Furanone, dihydro-2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26300

3(2H)-Furanone, dihydro-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F
3-9
wgk
3
tsca
TSCA listed
ridadr
UN 1224 3/PG 3
hs_code
29329990
RTECS-Nr.
LU3579000

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 4 Einträge

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, dihydro-2-methyl-: ACTIVE
Anwendungen · 3 Einträge

Beschreibung2-Methyltetrahydrofuran-3-one has a bread, buttery topnote. May be prepared by hydrolytic decarboxylation of 2-methyl-4-carbomethoxytetrahydrofuran- 3-one; by acid-catalyzed ring closure of p-alkoxy- diazoketones.

OccurrenceReported found as a constituent in coffee aroma; also as a volatile flavor component in roasted filbert nuts. Also reported found in guava, raisin, pineapple, onion, baked and fried potato, tomato, wheat bread, crispbread, smoked fish, cooked beef and pork, pork liver, rum, cocoa, coffee, peanuts, potato chips, passion fruit, beans, mushroom, tamarind, sweet potato, licorice, malt, dried bonito, cherimoya, okra and maté

Verwenden2-Methyltetrahydro-3-furanone has been employed as an quorum sensing inhibitor-molecule to investigate its effect on growth and biofilm formation in Hafnia alvei.

Darstellung

synthetischeBy hydrolytic decarboxylation of 2-methyl-4-carbomethoxytetrahydrofuran-3-one; by acid-catalyzed ring closure of β-alkoxy-diazoketones

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

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