4-acetyl-2,5-dimethyl-3(2H)-furanone
4-acetyl-2,5-dimethylfuran-3-one
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      36871-78-0 4-Acetyl-2,5-dimethyl-3(2H)-furanone
       
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      Product(s):
      01-07450 4-ACETYL-2,5-DIMETHYL-3(2H)-FURANONE
       
Synonyms   Articles   Notes   Search
CAS Number: 36871-78-0Picture of molecule3D/inchi
FDA UNII: Y1BRB2IA9F
XlogP3-AA: 0.70 (est)
Molecular Weight: 154.16530000
Formula: C8 H10 O3
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate (EFFA, 2015). CASrn 36871-78-0 to be introduced in the Register Safety evaluation not completed; mp: 34-35º
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 2234  4-acetyl-2,5-dimethyl-3(2H)-furanone
DG SANTE Food Flavourings: 13.175  4-acetyl-2,5-dimethylfuran-3(2H)-one
FEMA Number: 4070 4-acetyl-2,5-dimethyl-3(2H)-furanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):36871-78-0 ; 4-ACETYL-2,5-DIMETHYL-3(2H)-FURANONE
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Physical Properties:
Appearance: colourless solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 34.00 to  35.00 °C. @ 760.00 mm Hg
Boiling Point: 283.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.009000 mmHg @ 25.00 °C. (est)
Flash Point: 238.00 °F. TCC ( 114.50 °C. ) (est)
logP (o/w): 0.115 (est)
Soluble in:
 alcohol
 water, 7.443e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: caramellic
 
 caramellic  fruity  
Odor Description:
at 0.10 % in propylene glycol. 
caramellic fruity rasberry
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
4-ACETYL-2,5-DIMETHYL-3(2H)-FURANONE
BOC Sciences
For experimental / research use only.
4-Acetyl-2,5-dimethyl-3(2H)-furanone
Parchem
4-acetyl-2,5-dimethyl-3(2H)-furanone
Penta International
4-ACETYL-2,5-DIMETHYL-3(2H)-FURANONE
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 4-acetyl-2,5-dimethyl-3(2H)-furanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1000 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 0.5000025.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 2.0000010.00000
cheese: 3.0000015.00000
chewing gum: 4.0000020.00000
condiments / relishes: --
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: 3.0000015.00000
granulated sugar: --
gravies: 2.0000010.00000
hard candy: 4.0000020.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 2.0000010.00000
meat products: 1.000005.00000
milk products: 3.0000015.00000
nut products: --
other grains: --
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: 4.0000020.00000
soups: 2.0000010.00000
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Flavouring Group Evaluation 220: alpha,beta-Unsaturated ketones and precursors from chemical subgroup 4.4 of FGE.19: 3(2H)-Furanones
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 220, Revision 1 (FGE.220Rev1): alpha,beta-Unsaturated ketones and precursors from chemical subgroup 4.4 of FGE.19: 3(2H)-Furanones
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 220, Revision 2 (FGE.220Rev1): a,ß-Unsaturated ketones and precursors from chemical subgroup 4.4 of FGE.19: 3(2H)-Furanones
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 220 Revision 3 (FGE.220Rev3): Consideration of genotoxic potential for a,ß-unsaturated 3(2H)-Furanones from subgroup 4.4 of FGE.19
View page or View pdf
Scientific opinion on Flavouring Group Evaluation 313, (FGE.313): a,ß-unsaturated 3(2H)-furanone derivatives from chemical group 13
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 53426546
National Institute of Allergy and Infectious Diseases: Data
 4-acetyl-2,5-dimethylfuran-3-one
Chemidplus: 0036871780
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References:
 4-acetyl-2,5-dimethylfuran-3-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 53426546
Pubchem (sid): 135336403
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): Search
FooDB: FDB008892
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
EFSA Update of results on the monitoring of furan levels in food: Read Report
EFSA Previous report: Results on the monitoring of furan levels in food: Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food: Read Report
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Potential Blenders and core components note
 
For Odor
acidic
acidic
 cyclohexyl acetic acidFL/FR
balsamic
2-acetyl furanFL/FR
isoamyl pyruvateFL/FR
bready
 furfuralFL/FR
 rum etherFL/FR
buttery
 acetoinFL/FR
 acetyl butyrylFL/FR
 acetyl propionylFL/FR
3,4-hexane dioneFL/FR
2-oxobutyric acidFL/FR
 caramel furanone solutionFL/FR
 caramel pentadioneFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
alpha,alpha-dimethyl anisyl acetoneFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl furaneolFL/FR
 ethyl maltolFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 ethyl-4-hydroxymethyl-3(2H)-furanone 
 fenugreek absoluteFL/FR
 immortelle absoluteFL/FR
 levulinic acidFL/FR
 maltolFL/FR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
 menthone lactoneFL/FR
5-methyl furfuralFL/FR
isopropenyl pyrazineFL/FR
 rosefuranFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 strawberry furanone solutionFL/FR
 toffee furanoneFL/FR
cocoa
2-methyl butyraldehydeFL/FR
coconut
gamma-heptalactoneFL/FR
creamy
gamma-butyrolactoneFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
 ethyl pyruvateFL/FR
fermented
 butyl laevo-lactateFL/FR
 ethyl (E)-2-crotonateFL/FR
 ethyl crotonateFL/FR
fruity
isobutyl 2-butenoateFL/FR
 ethyl lactateFL/FR
(E)-ethyl tiglateFL/FR
 hexyl (E)-tiglateFL/FR
 methyl nonane dioneFL/FR
2-pentyl furanFL/FR
 tetrahydrofurfuryl acetateFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
herbal
 butyl levulinateFL/FR
nutty
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
3,5-cocoa pyrazineFL/FR
1,2-cyclohexane dioneFL/FR
2,3-dimethyl pyrazineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
(E)-propyl 2-furan acrylateFL/FR
 spicy acetoacetateFL/FR
(E)-tiglic acidFL/FR
sweet
 vanilla oleoresin baliFL/FR
vanilla
 ethyl vanillinFL/FR
 vanilla oleoresin bourbonFL/FR
 vanillinFL/FR
 vanillyl isobutyrateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-3,4,5,6-tetrahydropyridineFL
(E)-aconitic acidFL
 allyl 2-furoateFL
isoamyl pyruvateFL/FR
 benzyl disulfideFL
1,2-cyclohexane dioneFL/FR
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
 ethyl-4-hydroxymethyl-3(2H)-furanone 
 furfuryl acetoneFL
 menthone lactoneFL/FR
 methyl nonane dioneFL/FR
 rosefuranFL/FR
 strawberry furanone ethyl etherFL
isoamyl 3-(2-furan) propionateFL/FR
acidic
 levulinic acidFL/FR
dextro,laevo-tartaric acidFL
bready
 mango furanoneFL
brown
2-oxobutyric acidFL/FR
 furfuralFL/FR
5-methyl furfuralFL/FR
 tetrahydrofurfuryl acetateFL/FR
(E)-tiglic acidFL/FR
burnt
 furfuryl alcoholFL
isopropenyl pyrazineFL/FR
 rum etherFL/FR
buttery
 butyl laevo-lactateFL/FR
 diacetylFL
3,4-hexane dioneFL/FR
caramellic
 caramel dioneFL
 caramel furanoneFL
 caramel furanone solutionFL/FR
 caramel pentadioneFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
 ethyl furaneolFL/FR
 ethyl maltolFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
3-methyl butyl 2-furyl butyrateFL
 pyruvaldehydeFL
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 strawberry furanone solutionFL/FR
 toffee furanoneFL/FR
coffee
2-thiophene thiolFL
creamy
 acetoinFL/FR
 acetyl butyrylFL/FR
2-propanoyl thiopheneFL
fatty
 diacetyl trimerFL
(E,E)-2,4-undecadienalFL
2,4-undecadienalFL
floral
 rosa canina seed extractFL
fruity
 ethyl lactateFL/FR
(E)-ethyl tiglateFL/FR
 furfuryl valerateFL
2-pentanoyl furanFL
(E)-propyl 2-furan acrylateFL/FR
fusel
2-methyl butyraldehydeFL/FR
green
isobutyl 2-butenoateFL/FR
 hexyl (E)-tiglateFL/FR
 immortelle absoluteFL/FR
2-pentyl furanFL/FR
herbal
 butyl levulinateFL/FR
5-hydroxymethyl furfuralFL
jammy
 ethyl cyclopentenoloneFL/FR
 maltyl isobutyrateFL/FR
lactonic
gamma-heptalactoneFL/FR
malty
 hordeum vulgare extract (cereal grass)FL
milky
gamma-butyrolactoneFL/FR
musty
 ethyl (E)-2-crotonateFL/FR
nutty
2-acetyl furanFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 aconitic acidFL
3,5-cocoa pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
 tetrahydrofurfuryl alcoholFL/FR
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
roasted
 acer spicatum bark extractFL
rummy
 ethyl crotonateFL/FR
 ethyl pyruvateFL/FR
smoky
dextro-xyloseFL
spicy
 spicy acetoacetateFL/FR
sweet
 acetone alcoholFL
 cyclohexyl acetic acidFL/FR
 honey distillatesFL
 vanilla oleoresin baliFL/FR
toasted
 acetyl propionylFL/FR
vanilla
 ethyl vanillinFL/FR
 vanilla oleoresin bourbonFL/FR
 vanillinFL/FR
 vanillyl isobutyrateFL/FR
waxy
 furfuryl octanoateFL
 octyl 2-furoateFL
 
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Potential Uses:
 fruitFR
 pineappleFR
 strawberryFR
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Occurrence (nature, food, other): note
 pineapple fruit
Search Trop  Picture
 strawberry wild strawberry fruit
Search Trop  Picture
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Synonyms:
4-acetyl-2,5-dimethylfuran-3-one
4-acetyl-2,5-dimethylfuran-3(2H)-one
3(2H)-furanone, 4-acetyl-2,5-dimethyl-
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