2-butyl furan
 
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IUPAC name :2-butylfuran
InChI :InChI=1/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
InChIKey :NWZIYQNUCXUJJJ-UHFFFAOYAA
SMILES :CCCCC1=CC=CO1
(EINECS) number :224-732-7
cas number :4466-24-4
fema number :4081
coe number :10927
jecfa number :1490
fl. number :13.103
molar refractivity :37.36 ± 0.3 cm3
parachor :317.4 ± 4.0 cm3
index of refraction :1.453 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.899 ± 0.06 g/cm3
polarizability :14.81 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 124.1802800
formula :C8 H12 O
 
 
export tariff code :2932.19.0000
fda reg :unspecified
 

Suppliers :
Treatt :2-Butylfuran
Treatt USA :2-Butylfuran
 
 

organoleptics :
odor type :spicy
odor strength :medium
odor description :
at 100.00 %.  
spicy

properties :
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88400 - 0.89000 @ 25.00 °C.
pounds per gallon - calc. : 7.356 to 7.406
refractive index :1.44400 - 1.45000 @ 20.00 °C.
boiling point : 153.00 - 154.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.43

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 87.00  °F.  TCC  ( 30.56 °C. )
  
recommendation for 2-butyl 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).
publication number : 22.
4081 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 links :
(EINECS) number :224-732-7
chemidplus :687462165
epa-srs :4466-24-4
  
EPI System :Click here

other :
 

references :
jecfa number :1490
fl. number :13.103
pubchem :687462165
NIST Chemistry WebBook :687462165
  
synonyms :
2-butyl furan
2-butylfuran
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl 3,5,5-trimethyl hexanoate
 allyl cinnamate
 amber carane
 amyl isoeugenol
homoanisaldehyde
para-anisyl methyl ketone
 anisyl propanal / methyl anthranilate schiff's base
 basil oil
 basil oil CO2 sweet
 bay leaf oil
 bay leaf oil terpeneless
 benzyl formate
 benzyl isoeugenol
 benzyl methyl tiglate
 benzylidene acetone
 bisabolene
alpha-bisabolene
 boldus leaf oil chile
 bulnesol
1,3-butane dithiol
isobutyl (E,E)-2,4-decadienamide
 butyl angelate
isobutyl angelate
sec-butyl-3-methyl but-2-ene thioate
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 cadinadiene
 calamenene
 calamus leaf oil
 cananga leaf oil
 canella bark oil
epsilon-caprolactam
 caraway seed oleoresin
 cardamom absolute
 cardamom seed oil
 carrot leaf oil
 carrot seed oil
 carrot weed oil
 carvacrol
 carvacryl ethyl ether
 carvacryl methyl ether
dextro-carvone
 caryophyllene
beta-caryophyllene
isocaryophyllene
 caryophyllene alcohol
alpha-caryophyllene alcohol
beta-caryophyllene alcohol
 caryophyllene alcohol acetate
 cedarwood oil atlas
 chamomile oil
 cinnamaldehyde / methyl anthranilate schiff's base
 cinnamaldehyde dimethyl acetal
 cinnamaldehyde ethylene glycol acetal
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl benzoate
 cinnamyl isobutyrate
 cinnamyl isovalerate
 cinnamyl nitrile
 cinnamyl phenyl acetate
 cinnamyl propionate
 cistus oil
 clary sage absolute
 clary sage oil
alpha-copaene
 copaiba balsam oil
 coriander oleoresin
 coriander seed absolute
 coriander seed concrete
 coriander seed oil
(-)-cubenol
 cumin oleoresin
 cumin seed absolute
 cuminaldehyde
 cuminyl alcohol
 cuminyl nitrile
 currant bud absolute black
isocyclogeraniol
 cypress oil
(Z)-4-decen-1-yl acetate
2-decyl furan
 dianthus ethone
N,N-diethyl octanamide
 dihydroeugenol
 dill seed oil
 dill weed oil
 dill weed oil cuba
 dill weed oil reunion
2,4-dimethyl anisole
para-alpha-dimethyl styrene
 dodecane nitrile
 elemi oil
 ethyl (E,Z)-2,6-nonadienamide
 ethyl cinnamate
4-ethyl guaiacol
 ethyl isoeugenol
O-ethyl S-(2-furyl methyl) thiocarbonate
 ethyl salicylate
 ethyl vanillin propylene glycol acetal
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 fennel seed oil
 fennel seed oil bitter spain
 fenugreek absolute
 frankincense oil
 frankincense resinoid
 furaneyl butyrate
 furfural acetone
 furfuryl acetone
 furfuryl ethyl ether
 furfuryl propionate
2-furfurylidene butyraldehyde
3-(2-furyl) acrolein
 galangal root oil
 galangal root oleoresin
 geranium oil
 germacrene B
(E)-germacrene D
 ginger oleoresin
 ginger root absolute
 ginger root oil
 ginger root oil CO2 extract
 ginger root oil cochin
 ginger root oil terpeneless africa
 grains of paradise oil
 guaiacwood oil
 heliotropyl diethyl acetal
2-heptanone
1-hepten-3-ol
 herbal acetal
(E,E)-2,4-hexadien-1-al
2-hexen-4-olide
 hexyl 3-mercaptobutanoate
2-hexylidene cyclopentanone
 hop absolute
 hop oil
 huon pine wood oil
(Z)-jasmone
 juniper berry oleoresin
 labdanum oil
 laurel bark oil
 laurel berry absolute
 laurel berry oil
 laurel leaf absolute
 laurel leaf concrete
 laurel leaf oil
 laurel leaf oil turkey
 laurel stem oil
 lavender absolute
 lavender absolute france
 lovage leaf oil
 lovage oleoresin
 lychee mercaptan acetate
 mace absolute
 mace oil
 mace oil CO2 extract
 mace oleoresin
para-menth-1-en-9-al
1-para-menthen-9-yl acetate
3-mercapto-3-methyl butanol
2-methyl 3-(methyl thio) furan 10% in triacetin
4-methyl biphenyl
5-methyl furfural
3-(5-methyl furyl) acrolein
4-methyl guaiacol
 methyl heptadienone
 methyl isoeugenol
 methyl phenyl acetate
 methyl phenyl sulfide
bis(methyl thio) methane
 methyl vanillate
(±)-3-((2-methyl-3-furyl)thio)-2-butanone
 mimosa absolute
 musk indanone
T-muurolol
 myrcene
 myrrh oil
 myrrh resinoid
 myrtenal
3-nonanol
3-nonanone
 nonisyl acetate
 octanal diethyl acetal
2-octanol
3-octanol
3-octen-2-one
3-octyl tiglate
 parsley leaf oil
 parsley seed oil
 pepper oil black
 pepper tree berry oil
 perillyl acetate
 phenethyl pivalate
3-phenyl propyl acetate
2-phenyl propyl alcohol
 phenyl propyl phenyl acetate
 privet dioxane
 propenyl guaethol
(E)-4-propenyl syringol
4-propenyl syringol
 propyl 2-furan acrylate
4-isopropyl-2-cyclohexenone
 rhodinyl acetate
 rhodinyl isobutyrate
 rhubarb oxirane
 rose absolute
 rose absolute morocco
 rose carboxylate
(Z)-rose oxide
 saffron indenone
 safranal
 savory oil summer
 savory oil winter
 spicy acetoacetate
 spicy acrolein
 spicy carbonate
 spicy pentanone
 spikenard oil
 tejpat oil
alpha-terpinen-7-al
 theaspirane
 thioguaiacol
 tonka undecanone
 tuberose absolute
 tuberose absolute concrete
 turmeric oil
 turmeric oleoresin
 turmeric root absolute
(E,E)-2,4-undecadien-1-al
2,4-undecadien-1-al
 vanillin propylene glycol acetal
laevo-verbenone
 wine lactone
 woody octene
 ylang ylang absolute
 zedoary bark oil
 zingerone
alpha-zingiberene
(odor and/or flavor) used in :
 chicken
 cranberry
 pork
 tomato
natural occurrence in :
chicken
coffee
cranberry
pork
tomato



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