2-acetyl furan
 
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IUPAC name :1-furan-2-ylethanone
InChI :InChI=1/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
InChIKey :IEMMBWWQXVXBEU-UHFFFAOYAG
SMILES :CC(=O)C1=CC=CO1
(EINECS) number :214-757-1
cas number :1192-62-7
beilstein number :0107909
fema number :3163
coe number :11653
jecfa number :1503
fl. number :13.054
molar refractivity :28.58 ± 0.3 cm3
parachor :246.4 ± 4.0 cm3
index of refraction :1.463 ± 0.02
surface tension :31.8 ± 3.0 dyne/cm
density :1.061 ± 0.06 g/cm3
polarizability :11.33 ± 0.5 10-24cm3
xlogp : 0.60
molecular weight : 110.1106400
formula :C6 H6 O2
BioActivity Analysis :70912
 
 
fda reg :unspecified h. number :2932.19.0000
organoleptics : 
odor type :balsamic
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet balsam almond cocoa caramel coffee
taste description³ :at 100.00 ppm.  
Sweet, nutty and roasted with a sweet, baked-goods body
properties : 
appearence :colorless crystals
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.08900 - 1.09900 @ 25.00 °C.
pounds per gallon - calc. : 9.062 to 9.145
refractive index :1.50000 - 1.50900 @ 20.00 °C.
melting point : 29.00 - 32.00 °C. @ 760.00 mm Hg
boiling point : 67.00 °C. @ 10.00 mm Hg
boiling point : 173.00 - 175.00 °C. @ 760.00 mm Hg
logp : 0.52
safety : 
most important hazard(s) : T - Toxic.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 160.00  °F.  TCC  ( 71.11 °C. )
  
recommendation for 2-acetyl furan usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for 2-acetyl furan usage levels up to :
  100.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :214-757-1
rtecs :OB3870000 for 1192-62-7
toxnet :1192-62-7
epa-srs :1192-62-7
pubchem :1192-62-7
  
other : 
 
references : 
reference : Mosciano, Gerard P&F 23, No. 1, 33, (1998)³
synonyms :
2-acetyl furan
1-(2-furanyl) ethanone
2-furyl ethanone
2-furyl methyl ketone
1-(2-furyl) ethanone
 methyl 2-furyl ketone
soluble in :
 alcohol
 dipropylene glycol
 water, 39100 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
 allspice oil
 allyl amyl glycolate
 almond oil
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
para-anisaldehyde
 anise seed oil
para-anisyl alcohol
 beeswax absolute
 benzaldehyde
 benzoin resinoid
 benzyl acetate
 benzyl cinnamate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobutyl cinnamate
 caramel furanone
 cassia bark oil
 chocolate pyrazine
 clary sage oil
 clove bud oil
 coconut absolute
 coffee furanone
 coriander seed oil
 coumarin
 cyclamen aldehyde
gamma-decalactone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 ethyl cinnamate
4-ethyl guaiacol
 ethyl laurate
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 frankincense oil
 geraniol
 geranyl acetate
 grapefruit pentanol
 green acetate
 heliotropin
 heliotropyl acetone
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 ionones
 labdanum resinoid
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 maltol
 methyl acetophenone
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl cyclopentenolone
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 methyl phenyl acetate
 musks
 nerol
 neryl acetate
gamma-nonalactone
 nutmeg oil
 ocean propanal
gamma-octalactone
 orange oil
 patchouli ethanone
 pepper oil black
 peru balsam oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 santall
 strawberry furanone
 strawberry glycidate 1
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
 vanilla absolute
 vanillyl acetate
 woody acetate
 woody amylene
(odor and/or flavor) used in :
 absinthe
 acorn
 allspice
 almond
 amber
 arnica
 ash mountain ash
 asparagus
 azalea
 balsam
 bark
 beeswax cire d'abeille
 brandy
 bread
 bread crust
 butter rum
 butterscotch
 cappuccino
 carnation dianthus oeillet
 cassia
 castoreum
 chamomile
 cherry
 cherry black cherry
 cherry maraschino cherry
 cherry wild cherry
 chicory root
 chocolate cacao
 chocolate cocoa
 cinnamon
 coconut
 coffee
 cookie
 date
 davana
 elder blossom
 fir balsam
 fruit
 gingerbread
 graham cracker
 guaiacwood
 hay new mown hay foin coupe
 liver
 lychee soapberry
 malt
 mate
 meat roasted meat
 meat smoked meat
 mimosa wattle
 molasses
 myrrh
 nut almond
 nut filbert
 nut peanut
 patchouli
 plum
 plum greengage plum
 plum mirabelle plum
 potato baked potato
 potato fried potato
 praline
 pumpkin
 raisin
 sugar brown sugar
 tea
 tobacco tabac tabaco
 tomato
 tropical
 vanilla
 ylang ylang cananga
natural occurrence in :
 almond roasted almond
 asparagus
 beef heated beef
 beer
 brandy
 cocoa
 coffee
 plum
 potato baked potato
 rum
 tea green tea
 tomato
 wine red wine



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