mango furanone
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IUPAC name :2,5-dimethylfuran-3-one
InChI :InChI=1/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
InChIKey :ASOSVCXGWPDUGN-UHFFFAOYAI
SMILES :CC1C(=O)C=C(O1)C
cas number :14400-67-0
(EINECS) number :238-365-5
fema number :4101
coe number :11066
fl. number :13.119
molar refractivity :29.19 ± 0.3 cm3
parachor :248.0 ± 6.0 cm3
index of refraction :1.455 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :1.042 ± 0.06 g/cm3
polarizability :11.57 ± 0.5 10-24cm3
XlogP : 0.60
molecular weight : 112.1265200 (IUPAC)
formula :C6 H8 O2
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Frutarom :2,5-DIMETHYL-3(2H)-FURANONE
≥92.00%, NI, Kosher
Odor:  Caramel, Fruity, Sweet
Suggested Uses: Bakery, Coffee, Savoury
Frutarom :NATURAL 2,5-DIMETHYL-3(2H)-FURANONE
≥92.00%, natural, Kosher
Odor:  Caramel, Fruity, Sweet
Suggested Uses: Bakery, Coffee, Savoury
Penta :2,5-dimethyl-3-(2H)-furanone
natural
Penta :2,5-dimethyl-3-(2H)-furanone
syntyhetic
TCI AMERICA :2,5-Dimethyl-3(2H)-furanone
organoleptics :
odor type :caramellic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		fruity ester caramel
properties :
appearence :yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05000 to 1.06000 @ 25.00 °C.
pounds per gallon - calc. : 8.737 to 8.820
refractive index :1.47300 to 1.47900 @ 20.00 °C.
boiling point : 259.00 to 261.00 °C. @ 760.00 mm Hg
boiling point : 72.00 °C. @ 13.00 mm Hg
vapor density :3.8 ( Air = 1 )
flash point : 125.00  °F.  TCC  ( 51.67 °C. )
logP (o/w) : 0.33
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.90 (μg/capita/day)
 
recommendation for mango furanone fragrance usage levels up to :
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 5.0000025.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 2.0000010.00000
cheese : 3.0000015.00000
chewing gum : 4.0000020.00000
condiments / relishes : --
confectionery froastings : 4.0000020.00000
egg products : --
fats / oils : 2.0000010.00000
fish products : 1.000005.00000
frozen dairy : 3.0000015.00000
fruit ices : 3.0000015.00000
gelatins / puddings : 3.0000015.00000
granulated sugar : --
gravies : 2.0000010.00000
hard candy : 4.0000020.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 2.0000010.00000
meat products : 1.000005.00000
milk products : 3.0000015.00000
nut products : --
other grains : --
poultry : 1.000005.00000
processed fruits : 2.0000010.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 2.0000010.00000
snack foods : 5.0000025.00000
soft candy : 4.0000020.00000
soups : 2.0000010.00000
sugar substitutes : --
sweet sauces : --
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :2
 
 
 
 
2,5-dimethylfuran-3-one
(EINECS) number :238-365-5
chemidplus :014400670
EPA Substance Registry Services :14400-67-0
references :
 
2,5-dimethylfuran-3-one
fl. number :13.119
NIST Chemistry WebBook :2725829975
pubchem :662593
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2,3-dihydro-2,5-dimethyl-3-furanone
2,5-dimethyl furan-3(2H)-one
2,5-dimethyl-2,3-dihydrofuran-3-one
2,5-dimethyl-2H-furan-3-one
2,5-dimethyl-3(2H)-furanone
2,5-dimethylfuran-3-one
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
2-acetyl furanFL/FR
 acetyl propionylFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 allyl 2-furoateFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl disulfideFL
 butyl levulinateFL/FR
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 cyclohexyl acetic acidFL
 diacetylFL
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
2,3-dimethyl pyrazineFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl maltolFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl vanillinFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl valerateFL
 geranyl crotonateFR
gamma-heptalactoneFL/FR
3,4-hexane dioneFL/FR
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
 levulinic acidFL
 maltolFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
 maple lactoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
3-methyl butyl 2-furyl butyrateFL
 methyl cyclopentenoloneFL/FR
5-methyl furfuralFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
 rosefuranFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
dextro,laevo-tartaric acidFL
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
2-thiophene thiolFL
(E)-tiglic acidFL/FR
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla oleoresinFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 bread
 caramel
 coffee
 mango
 strawberry
natural occurrence in :    note
 bread  
 coffee  
 mango S

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