2-pentanoyl furan
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IUPAC name :1-furan-2-ylpentan-1-one
InChI :InChI=1/C9H12O2/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3
InChIKey :HTOZHTBIOGGHDJ-UHFFFAOYAA
SMILES :CCCCC(=O)C1=CC=CO1
cas number :3194-17-0
fema number :4192
jecfa number :1509
fl. number :13.163
molar refractivity :42.47 ± 0.3 cm3
parachor :365.7 ± 4.0 cm3
index of refraction :1.466 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :0.992 ± 0.06 g/cm3
polarizability :16.84 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 152.1903800
formula :C9 H12 O2
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Endeavour :1-(2-Furyl)pentan-1-one
97%
Nanjing :1-(2-Furyl)pentan-1-one
Penta :2-pentanoylfuran
organoleptics :
odor type :caramellic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		sweet caramel
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.00900 to 1.01500 @ 25.00 °C.
pounds per gallon - calc. : 8.396 to 8.446
refractive index :1.48600 to 1.49200 @ 20.00 °C.
boiling point : 101.00 °C. @ 10.00 mm Hg
boiling point : 224.00 to 225.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 206.00  °F.  TCC  ( 96.67 °C. )
logP (o/w) : 2.11
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 2-pentanoyl furan 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 : 10.0000050.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : --
granulated sugar : --
gravies : 5.0000025.00000
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : 7.0000035.00000
meat products : 20.00000100.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : --
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 10.0000050.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
 
 
 
 1-furan-2-ylpentan-1-one
chemidplus :3194-17-0
EPA Substance Registry Services :3194-17-0
dtp/nci :27359
references :
 1-furan-2-ylpentan-1-one
fl. number :13.163
jecfa number :1509
pubchem :87857
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 butyl 2-furyl ketone
1-furan-2-ylpentan-1-one
1-(2-furanyl)-1-pentanone
1-(2-furyl)-1-pentanone
2-pentanoylfuran
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 acetone
 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
 rosefuran
 shoyu furanone
dextro-sorbitol
 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 :
 cheese
 citrus
 nectarine
 orange
natural occurrence in :
beef



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