2-butyryl furan
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IUPAC name :1-furan-2-ylbutan-1-one
InChI :InChI=1/C8H10O2/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
InChIKey :GONWJZJNVDRECJ-UHFFFAOYAA
SMILES :CCCC(=O)C1=CC=CO1
cas number :4208-57-5
fema number :4083
jecfa number :1507
fl. number :13.105
molar refractivity :37.84 ± 0.3 cm3
parachor :326.0 ± 4.0 cm3
index of refraction :1.465 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :1.010 ± 0.06 g/cm3
polarizability :15.00 ± 0.5 10-24cm3
XlogP : 1.40
XlogP3 : 1.30
molecular weight : 138.1638000 (IUPAC)
formula :C8 H10 O2
BioActivity Analysis :83937
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Endeavour :1-(2-Furyl)butan-1-one
97%
Nanjing :1-(2-furyl)butan-1-one
orders in chinese.
Sigma-Aldrich-Aldrich :2-Butyrylfuran
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Treatt :2-Butyrylfuran
organoleptics :
odor type :balsamic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		balsamic
taste description:
fruity
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05000 to 1.05600 @ 25.00 °C.
pounds per gallon - calc. : 8.737 to 8.787
refractive index :1.48900 to 1.49500 @ 20.00 °C.
boiling point : 195.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :not determined
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for 2-butyryl furan 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 : --
condiments / relishes : 2.0000010.00000
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 : --
granulated sugar : --
gravies : --
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 1.000005.00000
milk products : 3.0000015.00000
nut products : --
other grains : 2.0000010.00000
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 : --
soups : 2.0000010.00000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
 
 
 
 
1-furan-2-ylbutan-1-one
chemidplus :4208-57-5
EPA Substance Registry Services :4208-57-5
dtp/nci :21612
references :
 
1-furan-2-ylbutan-1-one
fl. number :13.105
jecfa number :1507
NIST Chemistry WebBook :4208575
pubchem :83937
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-butyrylfuran
1-furan-2-ylbutan-1-one
1-(2-furanyl)-1-butanone
 furyl N-propyl ketone
2-furyl propyl ketone
1-(2-furyl)-1-butanone
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
2-acetyl furanFL/FR
2-acetyl-3,5-dimethyl furanFL
 agarwood oilFR
 amyl cinnamateFL/FR
 amyl isoeugenolFR
 amyl phenyl acetateFL/FR
isoamyl pyruvateFL/FR
 amyris wood oilFL/FR
 balsam ketoneFR
 benzophenoneFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl salicylateFL/FR
alpha-bisaboleneFL/FR
beta-bisaboleneFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
 butyl cinnamateFL/FR
isobutyl cinnamateFL/FR
T-cadinol 
 cinnamic acidFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl anthranilateFR
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl formateFL/FR
 cistus absoluteFL/FR
 cistus concreteFR
 clover nitrileFR
 conifer acetateFL/FR
 copaiba balsam oilFL/FR
 cypress absoluteFR
 ethyl cinnamateFL/FR
 eugenyl benzoateFL/FR
 fir needle oil canadaFL/FR
 fir needle oil terpenelessFL/FR
alpha-guaieneFR
 guaiyl butyrateFR
 gurjun balsam oilFR
alpha-gurjuneneCS
(Z)-3-hexen-1-yl cinnamateFR
 hexyl benzoateFL/FR
4-hydroxybenzaldehydeFL/FR
 juniper berry absoluteFL/FR
 juniper berry concreteFR
 juniper berry oilFL/FR
 juniper berry oil CO2 extractFL/FR
 juniper needle oilFR
 juniper berry oilFL/FR
 juniper berry oleoresinFL/FR
 linalyl cinnamateFL/FR
 lovage flower oil 
 lovage seed oil 
 mastic absoluteFL/FR
 mastic concreteFR
 mastic resinFR
7-methoxycoumarinFL
 methyl cinnamateFL/FR
alpha-methyl cinnamic alcoholFR
 muhuhu wood oilFR
 myrrh absoluteFL/FR
 myrrh resinoidFR
 nonyl benzoate 
 octyl cinnamateFR
 opoponax oilFL/FR
 opoponax resinoidFR
 patchouli oilFL/FR
 phenethyl cinnamateFL/FR
 phenethyl salicylateFL/FR
3-phenyl propyl acetateFL/FR
3-phenyl propyl cinnamateFL/FR
 phenyl propyl phenyl acetateFL/FR
(Z)-pinaneFR
 prenyl benzoateFL/FR
 propyl benzoateFL/FR
isopropyl cinnamateFL/FR
(E)-sabinene hydrateFL/FR
(Z)-sabinene hydrateFL/FR
 sandalwood oilFL/FR
 santalyl butyrateFL/FR
 santolina oil 
 sclareolFL/FR
 storax gumFL
 styrax oilFL/FR
 styrax resinFL
 styrax resinoidFL
 terpinyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 tolu balsamFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam resinFL/FR
 tolu balsam resinoidFR
 valerian absoluteFL/FR
 valerophenone 
 vetiverolFL/FR
potential uses :
 balsam
 coffee
 herbal
natural occurrence in :    note
 coffee  

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