2-acetyl-5-methyl furan
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IUPAC name :1-(5-methylfuran-2-yl)ethanone
InChI :InChI=1/C7H8O2/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3
InChIKey :KEFJLCGVTHRGAH-UHFFFAOYAV
SMILES :CC1=CC=C(O1)C(=O)C
cas number :1193-79-9
(EINECS) number :214-779-1
beilstein number :0110853
fema number :3609
coe number :11038
jecfa number :1504
fl. number :13.083
molar refractivity :33.40 ± 0.3 cm3
parachor :284.0 ± 4.0 cm3
index of refraction :1.468 ± 0.02
surface tension :31.3 ± 3.0 dyne/cm
density :1.034 ± 0.06 g/cm3
polarizability :13.24 ± 0.5 10-24cm3
XlogP : 0.80
XlogP3-AA : 1.40
molecular weight : 124.1372200 (IUPAC)
formula :C7 H8 O2
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Bedoukian Research :2-ACETYL-5-METHYL FURAN
≥98.0%, Kosher
Odor:  A strong, nutty, hay-coumarin
For nutty notes in fragrances.
Flavor:  nutty cocoa toasted bready
Used in caramel, chocolate, hazelnut, coffee, meat, tobacco, almond and other nut flavors.
Cargill :2-ACETYL-5-METHYL FURAN
Kosher
Odor:  Strong, Nutty, Hay, Coumarin
Endeavour :1-(5-Methyl-2-furyl)ethan-1-one
99%
Frutarom :2-ACETYL-5-METHYLFURAN
≥98.00%, NI, Kosher
Odor:  Hay, Nutty
Suggested Uses: Bakery, Chocolate, Coffee, Nut
Hofmen :2-Acetyl-5-methyl furan
Penta :2-acetyl-5-methyl furan
SAFC Global® :2-Acetyl-5-methylfuran
≥98%, Kosher
Odor:  nutty
Treatt :2-Acetyl-5-methylfuran
organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		strong musty nutty hay coconut coumarin milky
Luebke, William tgsc, (1993)
odor sample from :Bedoukian Research, Inc.
odor description:
Sweet, musty, nutty with a caramellic nuance
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
taste description:
at 50.00 ppm.  		Nutty cocoa-like with a toasted bready nuance
Mosciano, Gerard P&F 17, No. 1, 41, (1992)
substantivity :12  Hour(s)
properties :
appearence :yellow to orange clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05900 to 1.06700 @ 25.00 °C.
pounds per gallon - calc. : 8.812 to 8.879
refractive index :1.50800 to 1.51400 @ 20.00 °C.
boiling point : 100.00 to 101.00 °C. @ 25.00 mm Hg
boiling point : 71.00 to 72.00 °C. @ 8.00 mm Hg
acid value : 2.00  max.  KOH/g
flash point : 175.00  °F.  TCC  ( 79.44 °C. )
logP (o/w) : 0.98
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Mouse    438.00  mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for 2-acetyl-5-methyl furan fragrance usage levels up to :
  0.1000 % in the fragrance concentrate.
recommendation for 2-acetyl-5-methyl furan flavor usage levels up to :
  50.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
WGK Germany :3
 
 
 
 
1-(5-methylfuran-2-yl)ethanone
(EINECS) number :214-779-1
RTECS :LT8528000 for cas# 1193-79-9
chemidplus :001193799
EPA Substance Registry Services :1193-79-9
dtp/nci :80404
references :
 
1-(5-methylfuran-2-yl)ethanone
fl. number :13.083
jecfa number :1504
NIST Chemistry WebBook :3779807842
pubchem :157789
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-acetyl-5-methylfuran
1-5-methyl-2-furyl ethanone
 methyl 5-methyl-2-furyl ketone
1-(5-methyl-2-furanyl) ethanone
1-(5-methyl-2-furyl) ethan-1-one
1-(5-methylfuran-2-yl)ethanone
 nutty furan
soluble in :
 alcohol
 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
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
 acorn acetateFR
 allyl 2-ethyl butyrateFL
isoamyl geranateFR
isoamyl nonanoateFL/FR
isoamyl phenyl acetateFL/FR
6-amyl-alpha-pyroneFL/FR
alpha-angelica lactoneFL/FR
para-anisaldehydeFL/FR
 anisonitrileFR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 bois de rose oilFL/FR
 bornyl isobutyrateFL/FR
 boronia butenalFR
 bran absoluteFR
isobutyl cinnamateFL/FR
 capsicum oleoresinFL/FR
 caramel furanoneFL
 cassia bark oilFL/FR
 champaca flower oilFR
 cherry oxyacetateFL/FR
 chocolate pyrazine AFL/FR
 clary sage absoluteFL/FR
 clove bud oilFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coconut decanoneFR
 coconut naphthalenoneFL/FR
 coffee furanoneFL
 coumaneFL/FR
 coumarinFR
 cyclohexyl methyl pyrazineFL
 deertongue absoluteFR
 deertongue concrete 
 deertongue oleoresinFR
 dehydromenthofurolactoneFL
 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
 dihydrocoumarinFL
 dimethyl dihydrocyclopentapyrazineFL
 dimethyl hydroquinoneFL/FR
2,3-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
 flouve absoluteFR
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
 genet absoluteFL/FR
 genet concreteFR
 hay absoluteFR
 hay concreteFR
 hazelnut notes 
 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
pseudoiononeFL
 jalapeno oleoresinFL
 lavender concreteFL/FR
 lovage oleoresinFL
 maltolFL/FR
 maraniolCS
 mate absoluteFL/FR
 menthofuranFL/FR
2-methoxypyrazineFL/FR
2-methyl anisoleFL/FR
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
7-methyl coumarinCS
 methyl coumarins 
 methyl cyclopentenoloneFL/FR
para-methyl phenoxyacetaldehydeFR
2-methyl pyrazineFL/FR
6-methyl quinolineFL/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
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
 myrtenalFL/FR
(E,E)-2,4-nonadien-1-alFL
gamma-nonalactoneFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 oakmoss phenolFR
 ocean propanalFL/FR
 octahydrocoumarinFL/FR
gamma-octalactoneFL/FR
3-octen-2-oneFL/FR
 paprika oleoresinFL/FR
 peanut dithiazineFL
 peanut oxazoleFL
 phenoxyethyl propionateFL/FR
 phenyl acetic acidFL/FR
3-phenyl propyl alcoholFL/FR
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 saffron pyranoneFR
 saffron resinoidFL/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
 syringaldehydeFL/FR
2,3,5,6-tetramethyl pyrazineFL
(E)-tiglic aldehydeFL/FR
 tobacco butenalFR
 tobacco leaf absoluteFR
 tonka bean absoluteFR
 tonka bean oleoresinFR
 tonka bean resinoidFR
 tonka furanoneFL/FR
 tonka ketoneFR
 tonka undecanoneFR
 tonkavertFR
3,5,5-trimethyl hexanolFL/FR
2,3,5-trimethyl pyrazineFL
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 verbena absolute franceFL
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
 woodruff absoluteFR
potential uses :
 bread
 caramel
 chocolate cocoa
 coffee
 hay new mown hay foin coupe
 mushroom
 nut almond
 nut filbert
 nut hazelnut
 nut peanut
 nut roasted
 tobacco tabac tabaco
 vegetable
natural occurrence in :    note
 beer  
 bread  
 coffee  
 filbert  
data pagelavender oil spike spain @ 0.039% S
 mushroom  
 peanut  

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