Methyl-2-furoat
Methyl 2-furoate
Grundinformationen
- CAS
1334-76-5- Standard-SMILES
COC(=O)c1ccco1- InChIKey
HDJLSECJEQSPKW-UHFFFAOYSA-N- Summenformel
- C6H6O3
- Durchschnittliche Molmasse
- 126,11 g/mol
- Monoisotopische Masse
- 126,03169405
Überblick
Methyl 2-Furancarboxylate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Namen und Bezeichner
- Bevorzugter Name
- Methyl 2-furoate
- IUPAC
- methyl furan-2-carboxylate
- Lokaler Name
- Methyl-2-furoat
- Englischer Name
- Methyl 2-furoate
- Summenformel
- C6H6O3
- Molmasse
- 126.11
Namen und Synonyme
Methyl 2-furoate611-13-2Methyl furan-2-carboxylateMethyl pyromucateMETHYL FUROATE2-Furancarboxylic acid, methyl ester2-FUROIC ACID, METHYL ESTERFEMA No. 2703O9A8D29YDENSC-35551DTXSID7060598RefChem:157337
Weitere Namen anzeigen
FEMA 2703MEFAT2-METHYLFUROATEMethyle furoateMethyl-2-furoat
DTXCID9042962210-254-6Methyl 2-furancarboxylate2-(Methoxycarbonyl)furan2-Furancarboxylic Acid Methyl EsterPyromucic acid methyl esterMethyl 2-furylcarboxylate2-Furoic acid methyl ester
Datenbank-Bezeichner
- CAS
1334-76-5、611-13-2- PubChem CID
- 11902
- DTXSID
DTXSID7060598- ChEBI
CHEBI:167081- UNII
- O9A8D29YDE
- EC Number
- 210-254-6、215-614-6
- Nikkaji
- J7.016E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 39,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 111
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Methyl 2-furoate) -> IFRA transparency List
LogP
1.00
1.08
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.176-1.181
Flavoring AgentsEU Flavoring substances
Solubility
insoluble to slightly soluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
181.00 to 182.00 °C. @ 760.00 mm Hg
181 °C
Refractive Index1.485-1.490
Physical Description
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 (98.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1609 reports by companies from 10 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Furancarboxylic acid, methyl ester
Regulation (EC) No 1831/2003 (amended)
Methyl 2-furancarboxylate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Furancarboxylic acid, methyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (98.4%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29321900
- RTECS-Nr.
- LV1950000
- risk_code
- 36/37/38-21/22-22
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- packing_group
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
General Manufacturing Information2-Furancarboxylic acid, methyl ester: ACTIVE
Anwendungen
BeschreibungMethyl 2-furoate has a pleasant, fruity odor similar to mushroom, fungus or tobacco with a sweet, tart, fruity taste that is quite heavy. May be prepared from 2-furoic acid in methanol solution in the presence of HCL as catalyst (oxidation or Carmizzaro reaction).
OccurrenceReported found in cranberry, guava, baked potato, raisin, papaya, blackberry, baked potato, tomato, cognac, coffee, filbert, peanut, cocoa, passion fruit, almonds, tamarind, soursop, dried bonito, kiwifruit, mountain papaya, wild rice, okra, grape brandy and roasted hazelnut.
VerwendenMethyl 2-furoate (Methyl furan-2-carboxylate, Methyl pyromucate) was used to synthesize cis-fused 5-oxofuro[2,3-b]furans. It was also used in the preparation of sesquiterpene lactone.
Darstellung
synthetischeFrom 2-furoic acid in methanol solution in the presence of HCl as catalyst (oxidation or Carmizzaro reaction)
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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