5-Methylfurfural
Grundinformationen
- CAS
620-02-0- Standard-SMILES
Cc1ccc(C=O)o1- InChIKey
OUDFNZMQXZILJD-UHFFFAOYSA-N- Summenformel
- C6H6O2
- Durchschnittliche Molmasse
- 110,11 g/mol
- Monoisotopische Masse
- 110,03677943
Überblick
5-methyl-2-furaldehyde is a member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and methyl groups, respectively. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a flavouring agent, a Maillard reaction product and a human metabolite. It is an aldehyde and a member of furans.
Namen und Bezeichner
- Bevorzugter Name
- 5-Methylfurfural
- IUPAC
- 5-methylfuran-2-carbaldehyde
- Lokaler Name
- 5-Methylfurfural
- Englischer Name
- 5-Methyl furfural
- Summenformel
- C6H6O2
- Molmasse
- 110.11
Namen und Synonyme
5-METHYLFURFURAL5-Methylfuran-2-carbaldehyde5-Methyl-2-furaldehyde5-Methyl-2-furfural5-Methyl-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-methyl-5-methyl-2-furancarbaldehydeEINECS 210-622-6Furfural, 5-methyl-CCRIS 2921BRN 01068955-Methyl-2-furanaldehyde
Weitere Namen anzeigen
FEMA 2702Methylfurfural5-methyl fural
5-MethyIfurfuralUNII-4482BZC72D5-METHYLFURAN-2-ALDEHYDEAI3-365915-17-09-00404 (Beilstein Handbook Reference)METHYL-5-FURALDEHYDEMETHYL FURFURAL, 5-DTXSID1060714
Datenbank-Bezeichner
- CAS
620-02-0- PubChem CID
- 12097
- DTXSID
DTXSID1060714- ChEMBL
CHEMBL2230304- ChEBI
CHEBI:2091- UNII
- 4482BZC72D
- EC Number
- 210-622-6
- Nikkaji
- J37.047I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 30,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 90,5
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesSchoenflies notation
FragrancesFragrance Ingredient (5-Methylfurfural) -> IFRA transparency List
LogP
0.67
0.67
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.098-1.108
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
89.00 to 90.00 °C. @ 26.00 mm Hg
187 °C
Refractive Index1.525-1.532
Physical DescriptionColourless liquid, spicy-sweet, warm and slightly caramellic odour
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
This chemical does not meet GHS hazard criteria for 88.4% (380 of 430) of all reports.
Warning
H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 430 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Furancarboxaldehyde, 5-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Furancarboxaldehyde, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2932190090
- RTECS-Nr.
- LT7032500
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 10 - Combustible liquids
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
General Manufacturing Information2-Furancarboxaldehyde, 5-methyl-: ACTIVE
Anwendungen
OccurrenceReported found in sour cherry, apple, orange juice, cranberry, blueberry, guava, grapes, raisin, peach, blackberry, strawberry jam, asparagus, carrot, onion, potato, bell pepper, tomato, cinnamon, bark, clove bud, bread, parmesan cheese, yogurt, butter, egg, fatty fish, beef, pork liver, beer, cognac, coffee, tea, barley, filberts, popcorn, peanuts, oats, soybean, roasted coconut, cloudberry, passion fruit, pecan, mushroom, starfruit, trassi, sesame seed, mango, tamarind, rice bran, quince, sweet potato, sukiyaki, calamus, licorice, malt, wort, elderberry, mangosteen, kiwifruit, buchu oil, Bourbon vanilla, wild rice, chicory root, shrimp, oyster, clam, okra, pistachio nut and maté
Verwenden5-methylfurfural is an intermediate for the synthesis of s-bioallethrin and prallethrin.It used for blending coffee, chocolate, nuts, caramel, spices and on food fragrance. Used in the synthesis of pharmaceutical intermediates.
Darstellung
synthetischeFrom sucrose with HCl, followed by treating with stannous chloride; 5-Methyl furfural is produced by distillation of various methylpentoses with acid together.
Vor- und nachgelagerte Produkte
Zugehörige Reaktionen
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