5-Methylfurfural

HCID 12097CAS 620-02-0
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation
FragrancesFragrance Ingredient (5-Methylfurfural) -> IFRA transparency List
LogP · 2 Einträge

0.67

0.67

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.098-1.108
Flavoring AgentsEU Flavoring substances

Physikochemische Eigenschaften

Schmelzpunkt
171 °C · 171 °C
Siedepunkt
187 · 187-189 °C(lit.)
Dichte
1.107 g/mL · 1.107 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.531
FEMA
2702 · 2702 | 5-METHYLFURFURAL
Flammpunkt
163 °F · 163 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 3 Einträge

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
29329995
RTECS-Nr.
LT7032500
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2-Furancarboxaldehyde, 5-methyl-: ACTIVE
Anwendungen · 2 Einträge

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

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
枣庄九星生物科技有限公司0632-3759569 13589608009
INTATRADE GmbH+49 3493/605464 · [email protected]

Zugehörige Reaktionen

82
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…