5-methyl furfural

5-methylfurfural

CAS: 620-02-0 C6 H6 O2 MW: 110.11222000 caramellic brown

Identification

Name5-methyl furfural
IUPAC5-methylfuran-2-carbaldehyde
CAS Number620-02-0
EINECS210-622-6
FDA UNII4482BZC72D
Molecular FormulaC6 H6 O2
Molecular Weight110.11222000
MDL NumberMFCD00003232
Nikkaji NumberJ37.047I
Beilstein0106895
CoE Number119
XlogP30.70 (est)

Regulatory

DG SANTE Food Flavourings13.001 5-methylfurfural
FEMA Number2702
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)620-02-0 ; 5-METHYLFURFURAL

Physical Properties

Appearance yellow to orange clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.09500 to 1.10600 @ 25.00 °C.
Pounds per Gallon - (est). 9.111 to 9.203
Refractive Index 1.52600 to 1.53500 @ 20.00 °C.
Boiling Point 89.00 to 90.00 °C. @ 26.00 mm Hg, 187.00 to 189.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.644000 mmHg @ 25.00 °C. (est)
Vapor Density 3.7 ( Air = 1 )
Flash Point 163.00 °F. TCC ( 72.78 °C. )
logP (o/w) 0.670
Shelf Life 12.00 month(s) or longer if stored properly.
Storage store under nitrogen.
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium ,
Substantivity > 1 hour(s) at 100.00 %
Odor Description
at 10.00 % in dipropylene glycol.
Sweet, caramellic, bready, brown, coffee-like
spicy, caramel, almond
Spice Caramel Maple Sweet, Caramellic, Bready, Brown, Coffee-like
Taste Description
at 50.00 ppm.
Characteristic sweet almond, black cherry, nuttier than benzaldehyde & not as drying as furfural

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Human Experience2 % solution: no irritation or sensitization.
Oral/Parenteral Toxicityoral-rat LD50 2200 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 5-methyl furfural usage levels up to2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)180.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)25.00 (μg/capita/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
baked goods1.00000
beverages(nonalcoholic)1.00000
beverages(alcoholic)0.02000
breakfast cereal-
cheese-
chewing gum20.00000
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy1.00000
fruit ices-
gelatins / puddings1.00000
granulated sugar-
gravies2.00000
hard candy0.03000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products5.00000
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods0.05000
soft candy1.00000
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

FR almond FR apple FL asparagus FL barley FL beef roasted beef FR blackberry FL bread white bread FR butterscotch FL caramel FL chocolate cocoa FL cloudberry bakeapple FR coffee FR cranberry FL dairy FR filbert FR fungus FL garlic FL brandy grape brandy FR honey FR huckleberry FL lamb FL macadamia FR mango FR maple FL onion FR passion fruit FR peanut FR popcorn FR raspberry FL sesame soybean FR tangerine FR tea green tea FL tomato trassi

Natural Occurrence

algae brown algae PMC asparagus barley roasted barley bean PMC blackberry fruit PMC cayenne fruit cichorium intybus l. root extract @ 0.51% Data cistus oil @ 0.2% Data cloudberry fruit cocoa coffee PMC cranberry fruit filbert roasted filbert garlic lavender oil spike spain @ 2.078% Data macadamia nut malpighia glabra l. fruit oil @ 0.20% Data mango fruit meat cooked meat PMC milk PMC mushroom PMC onion osmanthus absolute @ trace% Data passion fruit peanut roasted peanut pepper bell pepper fruit plum fruit popcorn PMC potato chip PMC raspberry red raspberry fruit sesame seed roasted soybean tamarind fruit oil tamarind seed oil tea tomato

Synonyms

2- formyl-5-methyl furan 2- formyl-5-methylfuran 2- furaldehyde, 5-methyl- 2- furancarboxaldehyde, 5-methyl- 5- methyl furan-2-al 5- methyl furan-2-carbaldehyde methyl furfural 5- methyl furfural natural 5- methyl furfuraldehyde 5- methyl-2-furaldehyde 5- methyl-2-furan carboxaldehyde 5- methyl-2-furancarboxaldehyde 5- methyl-2-furfural 5- methyl-2-furfuraldehyde methyl-5 furfural 2- methyl-5-formyl furan 2- methyl-5-formylfuran 5- methylfuran-2-al 5- methylfuran-2-carbaldehyde 5- methylfurfural 5- methylfurfural natural PubMed: Characterisation of volatile compounds in a smoke flavouring from rice husk. PubMed: Vortex-assisted liquid-liquid microextraction coupled with high performance liquid chromatography for the determination of furfurals and patulin in fruit juices. PubMed: Optimization of the HS-SPME-GC-IT/MS method using a central composite design for volatile carbonyl compounds determination in beers. 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