furfuryl acetone
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IUPAC name :4-furan-2-ylbutan-2-one
InChI :InChI=1/C8H10O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6H,4-5H2,1H3
InChIKey :GGJUJWSDTDBTLX-UHFFFAOYAY
SMILES :CC(=O)CCC1=CC=CO1
cas number :699-17-2
(EINECS) number :211-831-5
beilstein number :0112135
fema number :4120
coe number :11084
jecfa number :1510
fl. number :13.138
molar refractivity :37.39 ± 0.3 cm3
parachor :322.4 ± 4.0 cm3
index of refraction :1.465 ± 0.02
surface tension :32.3 ± 3.0 dyne/cm
density :1.022 ± 0.06 g/cm3
polarizability :14.82 ± 0.5 10-24cm3
XlogP : 0.60
molecular weight : 138.1638000 (IUPAC)
formula :C8 H10 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :4-(2-furyl)butan-2-one
orders in chinese.
organoleptics :
odor type :spicy
odor strength :medium
odor description:
at 100.00 %.  		spicy caramel
properties :
appearence :colorless solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 37.00 °C. @ 760.00 mm Hg
boiling point : 203.00 °C. @ 760.00 mm Hg
vapor pressure :0.28400 mm/Hg @ 25.00 °C.
flash point : 170.00  °F.  TCC  ( 76.67 °C. )
logP (o/w) : 0.83
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for furfuryl acetone 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 : --
beverages(nonalcoholic) : 5.0000025.00000
beverages(alcoholic) : --
breakfast cereal : --
cheese : 2.0000010.00000
chewing gum : 3.0000015.00000
condiments / relishes : --
confectionery froastings : 2.0000010.00000
egg products : 4.0000020.00000
fats / oils : --
fish products : 2.0000010.00000
frozen dairy : 1.000005.00000
fruit ices : 3.0000015.00000
gelatins / puddings : 3.0000015.00000
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : 1.000005.00000
nut products : 3.0000015.00000
other grains : --
poultry : 2.0000010.00000
processed fruits : 1.000005.00000
processed vegetables : 2.0000010.00000
reconstituted vegetables : --
seasonings / flavors : --
snack foods : 2.0000010.00000
soft candy : 5.0000025.00000
soups : --
sugar substitutes : 2.0000010.00000
sweet sauces : --
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
4-furan-2-ylbutan-2-one
(EINECS) number :211-831-5
chemidplus :000699172
EPA Substance Registry Services :699-17-2
references :
 
4-furan-2-ylbutan-2-one
fl. number :13.138
jecfa number :1510
NIST Chemistry WebBook :3589872362
pubchem :156122
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
4-furan-2-ylbutan-2-one
1-(2-furyl) butan-3-one
4-(2-furyl)-2-butanone
1-(2-furyl)butan-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 furanone 3% in pgFL/FR
 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 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
 mango furanoneFL
 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 :
 barley
 butterscotch
 caramel
 chicory root
 fenugreek
 gingerbread
 graham cracker
 immortelle helichrysum everlasting
 malt
 maple
 molasses
 praline
 toffee
natural occurrence in :    note
 not found in nature  

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