3-acetyl-2,5-dimethyl furan
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IUPAC name :1-(2,5-dimethylfuran-3-yl)ethanone
InChI :InChI=1/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChIKey :KBSVBCHYXYXDAG-UHFFFAOYAG
SMILES :CC1=CC(=C(O1)C)C(=O)C
cas number :10599-70-9
(EINECS) number :234-216-3
fema number :3391
coe number :10921
jecfa number :1506
fl. number :13.066
molar refractivity :38.23 ± 0.3 cm3
parachor :321.7 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :1.013 ± 0.06 g/cm3
polarizability :15.15 ± 0.5 10-24cm3
XlogP : 0.90
XlogP3-AA : 1.50
molecular weight : 138.1638000 (IUPAC)
formula :C8 H10 O2
BioActivity Analysis :479367
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Bedoukian Research :3-ACETYL-2,5-DIMETHYL FURAN
≥99.0%, FCC, Kosher
Odor:  A sweet, nutty odor with earthy undertones
For a sweet nutty note in specialty fragrances.
Flavor:  nutty musty cocoa beany bready
Used in concord grape, walnut, cherry, chocolate, coffee, nuts, rum, roasted nut, bread, tobacco and smoke flavors.
Endeavour :1-(2,5-Dimethyl-3-furyl)ethan-1-one
99%
Penta :3-acetyl-2,5-dimethyl furan
SAFC Global® :3-Acetyl-2,5-dimethylfuran
≥99%, FCC, Kosher
Odor:  meaty; nutty
Treatt :3-Acetyl-2 5-dimethylfuran
organoleptics :
odor type :musty
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		sweet musty nutty earthy cocoa corn leather
Luebke, William tgsc, (1991)
odor sample from :Bedoukian Research, Inc.
odor description:
Musty, nutmeat, powdery, slight roasted
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
taste description:
at 5.00 ppm.  		Nutty, musty, cocoa-Iike, with beany and bready nuances
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
substantivity :356  Hour(s)
properties :
appearence :yellow clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.02700 to 1.04800 @ 25.00 °C.
pounds per gallon - calc. : 8.546 to 8.720
refractive index :1.48400 to 1.48900 @ 20.00 °C.
refractive index :1.48500 @ 20.00 °C.
boiling point : 62.00 °C. @ 0.25 mm Hg
boiling point : 83.00 °C. @ 11.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 180.00  °F.  TCC  ( 82.22 °C. )
logP (o/w) : 1.74
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for 3-acetyl-2,5-dimethyl furan fragrance usage levels up to :
  0.1000 % in the fragrance concentrate.
recommendation for 3-acetyl-2,5-dimethyl furan flavor usage levels up to :
  50.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
1-(2,5-dimethylfuran-3-yl)ethanone
(EINECS) number :234-216-3
chemidplus :010599709
EPA Substance Registry Services :10599-70-9
dtp/nci :504254
references :
 
1-(2,5-dimethylfuran-3-yl)ethanone
fl. number :13.066
jecfa number :1506
NIST Chemistry WebBook :3912991454
pubchem :197795
other :
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
3-acetyl-2,5-dimethylfuran
2,5-dimethyl-3-acetyl furan
2,5-dimethyl-3-furyl methyl ketone
1-(2,5-dimethyl-3-furyl) ethan-1-one
1-(2,5-dimethyl-3-furyl)-1-ethanone
1-(2,5-dimethyl-3-furyl)-ethan-1-one
1-(2,5-dimethylfuran-3-yl)ethanone
Similar Products:    note
2-acetyl-3,5-dimethyl furan
soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, slightly
insoluble in :
 water
potential blenders :    note
 acetyl acetaldehyde dimethyl acetalFL
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 allyl 2-ethyl butyrateFL
isoamyl nonanoateFL/FR
isoamyl phenyl acetateFL/FR
alpha-angelica lactoneFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 bean pyrazineFL/FR
 beeswax absoluteFL/FR
 bornyl isobutyrateFL/FR
 boronia butenalFR
isobutyl cinnamateFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 caramel furanoneFL
 caraway seed oleoresinFL
 cassia bark oilFL/FR
 chocolate pyrazine AFL/FR
 clove bud oilFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coffee furanoneFL
 coumaneFL/FR
 cyclohexyl methyl pyrazineFL
 diacetylFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
2,4-dimethyl-5-vinyl thiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl phenyl acetateFL/FR
2-ethyl pyrazineFL/FR
 ethyl vanillinFL/FR
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuralFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
laevo-glutamic acidCS
 hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
2-heptyl furanFL
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
4-hydroxybenzoic acidFL
 immortelle absoluteFL/FR
 maltolFL/FR
 maraniolCS
 menthofuranFL/FR
2-methoxypyrazineFL/FR
2-methyl anisoleFL/FR
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl cyclopentenoloneFL/FR
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadien-1-alFL
gamma-nonalactoneFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
gamma-octalactoneFL/FR
 peanut dithiazineFL
 peanut oxazoleFL
2-pentyl furanFL/FR
 phenyl acetic acidFL/FR
3-phenyl propyl alcoholFL/FR
 pinacolFL/FR
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 saffron pyranoneFR
 sandalwood oilFL/FR
 shoyu furanoneFL/FR
 shoyu pyrazineFL/FR
 strawberry furanoneFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5,6-tetramethyl pyrazineFL
(E)-tiglic aldehydeFL/FR
 tobacco butenalFR
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,3,5-trimethyl pyrazineFL
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
 vanilla absoluteFL/FR
 vanilla oleoresinFL/FR
 vanillyl acetateFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
potential uses :
 bread
 caramel
 cherry
 chocolate cocoa
 coffee
 grape concord grape
 meat
 nut hazelnut
 nut walnut
 popcorn
 roasted
 tobacco tabac tabaco
natural occurrence in :    note
 not found in nature  

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