furfuryl acetone
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
(EINECS) number :211-831-5
cas number :699-17-2
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
formula :C8 H10 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

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
logp : 0.83

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 170.00  °F.  TCC  ( 76.67 °C. )
recommendation for furfuryl acetone 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).
publication number : 22.
4120 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 links :
 
 
(EINECS) number :211-831-5
chemidplus :000699172
EPA Substance Registry Services :699-17-2
NLM Chemical Carcinogenesis Research Information System :699-17-2
NLM Developmental and Reproductive Toxicity :699-17-2
NLM Env. Mutagen Info. Center :699-17-2
NLM GENetic TOXicology :699-17-2
EPI System :view

other :

references :
jecfa number :1510
fl. number :13.138
pubchem :156122
NIST Chemistry WebBook :3589872362
synonyms :
 furfuryl acetone
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

(odor and/or flavor) blends with :
 acetoin
2-acetyl furan
 acetyl propionyl
3-acetyl-2,5-dimethyl furan
2-acetyl-3,4,5,6-tetrahydropyridine
2-acetyl-3,5(or 6)-dimethyl pyrazine
 allyl 2-furoate
isoamyl 3-(2-furan) propionate
 benzyl disulfide
 butyl levulinate
2-oxobutyric acid
gamma-butyrolactone
 caramel dione
 caramel furanone
 caramel furanone 3% in pg
 caramel pentadione
 cyclohexyl acetic acid
 diacetyl
2,5-diethyl tetrahydrofuran
alpha,alpha-dimethyl anisyl acetone
2,3-dimethyl pyrazine
 ethyl (E)-crotonate
 ethyl 2-hydroxy-2-methyl butyrate
 ethyl 4-pentenoate
 ethyl cyclopentenolone
 ethyl maltol
 ethyl pyruvate
(E)-ethyl tiglate
 ethyl vanillin
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 fenugreek absolute
 furfuryl alcohol
 furfuryl octanoate
 furfuryl valerate
 geranyl crotonate
gamma-heptalactone
3,4-hexane dione
5-hydroxymethyl furfural
 immortelle absolute
 levulinic acid
 maltol
 maltyl propionate
 mango furanone
 maple furanone
 maple lactone
 menthone lactone
 mesitene lactone
3-methyl butyl 2-furyl butyrate
 methyl cyclopentenolone
5-methyl furfural
4-methyl-2,6-dimethoxyphenol
 nutty cyclohexenone
 peanut oxazole
2-pentanoyl furan
 rosefuran
 shoyu furanone
 strawberry furanone
 strawberry furanone acetate
dextro,laevo-tartaric acid
 tetrahydrofurfuryl acetate
 tetrahydrofurfuryl alcohol
2-thiophene thiol
(E)-tiglic acid
 toffee furanone
 tonka bean absolute
 tonka bean resinoid
(E,E)-2,4-undecadien-1-al
2,4-undecadien-1-al
isovaleraldehyde propylene glycol acetal
 vanilla oleoresin
 vanillyl isobutyrate

(odor and/or flavor) used in :
 barley
 butterscotch
 caramel
 chicory root
 fenugreek
 gingerbread
 graham cracker
 immortelle helichrysum everlasting
 malt
 maple
 molasses
 praline
 toffee

natural occurrence in :
not found in nature



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Html Last modified 11/23/2008