2-Furylmethylketon
2-Acetylfuran
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Grundinformationen
- CAS
1192-62-7- Standard-SMILES
CC(=O)c1ccco1- InChIKey
IEMMBWWQXVXBEU-UHFFFAOYSA-N- Summenformel
- C6H6O2
- Durchschnittliche Molmasse
- 110,11 g/mol
- Monoisotopische Masse
- 110,03677943
Überblick
2-acetylfuran is a furan carrying an acetyl substituent at the 2-position. Used in the production of the antibiotic cefuroxime (CHEBI:3515). It is a member of furans, a methyl ketone and an aromatic ketone.
Namen und Bezeichner
- Bevorzugter Name
- 2-Acetylfuran
- IUPAC
- 1-(furan-2-yl)ethanone
- Lokaler Name
- 2-Furylmethylketon
- Englischer Name
- 2-Acetylfuran
- Summenformel
- C6H6O2
- Molmasse
- 110.11
Namen und Synonyme
2-Acetylfuran1192-62-71-(furan-2-yl)ethanone2-Furyl methyl ketoneAcetylfuran1-(2-Furyl)ethanoneEthanone, 1-(2-furanyl)-Methyl 2-furyl ketoneKetone, 2-furyl methyl2-Furylethanone1-(Furan-2-yl)ethan-1-one1-(2-FURANYL)ETHANONE
Weitere Namen anzeigen
2-furylACFFEMA 31632-Acetyfuran2-furylmethyl2-acetylfurane
FEMA No. 3163Q5ZRP80K02CHEBI:59983NSC-4665NSC-49133DTXSID0051601RefChem:85001DTXCID1030153
Datenbank-Bezeichner
- CAS
1192-62-7- PubChem CID
- 14505
- DTXSID
DTXSID0051601- ChEBI
CHEBI:59983- UNII
- Q5ZRP80K02
- EC Number
- 214-757-1
- Nikkaji
- J45.573C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 30,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 98,7
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (2-Furyl methyl ketone) -> IFRA transparency List
LogP
0.52
0.52
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.102-1.107
Flavoring AgentsEU Flavoring substances
Solubility
Very slightly soluble in water; Slightly soluble in propylene glycol, vegetable oils
Soluble (in ethanol)
Boiling Point
67.00 °C. @ 10.00 mm Hg
67 °C (10 mm Hg)
Melting Point33 °C
Refractive Index
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (96.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1517 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Ethanone, 1-(2-furanyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furyl methyl ketone: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanone, 1-(2-furanyl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (96.8%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29321900
- RTECS-Nr.
- OB3870000
- risk_code
- 20/21-25-41-36/37-23/25
- Toxizität
- rat,LC50,inhalation,1130mg/m3/4H (1130mg/m3),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLDLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. OTS0559116,
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationEthanone, 1-(2-furanyl)-: ACTIVE
Anwendungen
Occurrence2-Acetylfuran is the most abundant flavour compound in Tamarind, where its aroma, in conjunction with alpha-terpineol, citral and some trace pyrazines, contributes to the flavour.Reported found as a constituent in coffee aroma; also isolated from beech and oak wood tar oils; an aroma component of yellow passion fruit (Passiflora edulis f. flavicarpa); also a volatile flavor component of potato chips. Also reported in tomato paste, roasted beef, grilled pork, beer, rum, red wine and green tea.
Verwenden2-Acetylfuran is a widely used reagent in manufacturing pharmaceuticals and aroma compounds.
Darstellung
synthetische2-Acetylfuran is synthesized from furan and acetyl chloride by a Friedel–Kraft condensation.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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