2-acetyl furan
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IUPAC name :1-(furan-2-yl)ethanone
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
cas number :1192-62-7
(EINECS) number :214-757-1
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
XlogP3 : 0.50
molecular weight : 110.1106400 (IUPAC)
formula :C6 H6 O2
BioActivity Analysis :70912
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Advanced Biotech :2-acetyl furan
96% min. synthetic
Odor:  Balsamic
Cargill :2-ACETYL FURAN
natural, Kosher
Odor:  Sweet, Cocoa, Slightly Coffee
Endeavour :1-(2-Furyl)ethan-1-one
99%
Fontarome :2-ACETYL FURAN
Odor:  Fat, sweet, nut
Frutarom :2-FURYL METHYL KETONE
≥99.00%, NI, Kosher
Odor:  Balsamic, Caramel, Sweet
Suggested Uses: Bakery, Chocolate, Cocoa, Coffee, Nut, Tomato
Hofmen :2-Acetylfuran
Penta :2-acetyl furan
SAFC Global® :2-Furyl methyl ketone
≥99%, Kosher, FG
Odor:  almond; beef; caramel; musty; coffee; potato; tobacco
SAFC Global® :2-Furyl methyl ketone
≥99%, natural, Kosher
Odor:  almond; beef; caramel; musty; coffee; potato; tobacco
Treatt :2-Acetylfuran
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
Luebke, William tgsc, (1993)
odor sample from :Sigma-Aldrich Inc.
odor description:
Sweet, almondy, nutty, brown and toasted with a milky, Iactonic undernote
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
taste description:
at 100.00 ppm.  		Sweet, nutty and roasted with a sweet, baked-goods body
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
properties :
appearence :colorless crystals
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.08900 to 1.09900 @ 25.00 °C.
pounds per gallon - calc. : 9.062 to 9.145
refractive index :1.50000 to 1.50900 @ 20.00 °C.
melting point : 29.00 to 33.00 °C. @ 760.00 mm Hg
boiling point : 67.00 °C. @ 10.00 mm Hg
boiling point : 173.00 to 175.00 °C. @ 760.00 mm Hg
vapor density :3.7 ( Air = 1 )
flash point : 160.00  °F.  TCC  ( 71.11 °C. )
logP (o/w) : 0.52
safety :
most important hazard(s) :T - Toxic.
  R 20/21 - Harmful by inhalation and in contact with skin.
R 24/25 - Toxic in contact with skin and if swallowed.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Inhalation-Rat  1130.00  gm/M3/4hour
  National Technical Information Service. Vol. OTS0559116

 
safety in use :
Category :flavor and fragrance agents
 
recommendation for 2-acetyl furan fragrance usage levels up to :
  0.1000 % in the fragrance concentrate.
recommendation for 2-acetyl furan flavor usage levels up to :
  100.0000 ppm in the flavor.
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2811
 
WGK Germany :3
 
 
 
 
1-(furan-2-yl)ethanone
(EINECS) number :214-757-1
RTECS :OB3870000 for cas# 1192-62-7
chemidplus :001192627
EPA Substance Registry Services :1192-62-7
dtp/nci :4665
references :
 
1-(furan-2-yl)ethanone
fl. number :13.054
jecfa number :1503
NIST Chemistry WebBook :2126898143
pubchem :157780
Flavornet :1192-62-7
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-acetyl furan
2-acetylfuran
1-(furan-2-yl)ethanone
1-furan-2-ylethanone
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
potential blenders :    note
 acetoinFL/FR
 allspice oilFL/FR
 allyl amyl glycolateFR
 almond oilFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
para-anisaldehydeFL/FR
 anise seed oilFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzaldehydeFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 caramel furanoneFL
 cassia bark oilFL/FR
 chocolate pyrazineFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 coconut absoluteFL/FR
 coffee furanoneFL
 coriander seed oilFL/FR
 coumarinFR
 cyclamen aldehydeFL/FR
gamma-decalactoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl cinnamateFL/FR
4-ethyl guaiacolFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 frankincense oilFL/FR
 geraniolFL/FR
 geranyl acetateFL/FR
 grapefruit pentanolFR
 green acetateFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
gamma-heptalactoneFL/FR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 labdanum resinoidFR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 maltolFL/FR
 methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl cyclopentenoloneFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 methyl phenyl acetateFL/FR
 musks 
 nerolFL/FR
 neryl acetateFL/FR
gamma-nonalactoneFL/FR
 nutmeg oilFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 orange oilFL/FR
 patchouli ethanoneFR
 pepper oil blackFL/FR
 peru balsam oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
gamma-undecalactoneFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 woody acetateFR
 woody amyleneFR
potential uses :
 absinthe
 acorn
 allspice
 almond
 amaretto
 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
 cereal
 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
 graham cracker
 guaiacwood
 hay new mown hay foin coupe
 liver
 lychee soapberry
 malt
 maple
 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 :    note
 almond roasted almond S
 asparagus S
 beef heated beef  
 beer  
 brandy  
 bread wheat bread  
 chestnut  
 cocoa S
 coffee  
data pagelavender oil spike spain @ 1.338% S
data pagemalpighia glabra l. fruit oil @ 2.10% S
 peanut roasted peanut  
 plum  
 pork heated pork  
 potato baked potato  
 raisin  
 rum  
 tamarind S
 tea green tea  
 tobacco burley tobacco S
 wine red wine  
 yogurt  

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