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BT
 

2-acetyl-3,5-dimethyl furan
1-(3,5-dimethylfuran-2-yl)ethanone

Sponsors

Name: 1-(3,5-dimethylfuran-2-yl)ethanone
CAS Number: 22940-86-9Picture of molecule3D/inchi
FDA UNII: 1MFL8Z7ZBB
Nikkaji Web: J1.406.846E
XlogP3-AA: 1.80 (est)
Molecular Weight: 138.16610000
Formula: C8 H10 O2
NMR Predictor: Predict (works with chrome or firefox)
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
JECFA Food Flavoring: 1505 2-acetyl-3,5-dimethylfuran
Flavis Number: 13.101 (Old)
DG SANTE Food Flavourings: 13.101 2-acetyl-3,5-dimethylfuran
FEMA Number: 4071 2-acetyl-3,5-dimethylfuran
FDA Mainterm: 2-ACETYL-3,5-DIMETHYLFURAN
 
Physical Properties:
Appearance: colorless clear liquid to solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.04100 to 1.04700 25.00 °C.
Pounds per Gallon - (est).: 8.662 to 8.712
Refractive Index: 1.49400 to 1.50000 @ 20.00 °C.
Melting Point: 17.00 to 18.00 °C. @ 760.00 mm Hg
Boiling Point: 195.00 to 198.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.199000 mm/Hg @ 25.00 °C. (est)
Flash Point: 193.00 °F. TCC ( 89.44 °C. )
logP (o/w): 1.436 (est)
Soluble in:
 alcohol
 water, 2072 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
3-acetyl-2,5-dimethyl furan
 
Organoleptic Properties:
Odor Type: balsamic
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 sweet balsamic
Odor Description:
at 1.00 % in dipropylene glycol.
sweet balsam
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Ethanone,1-(3,5-dimethyl-2-furanyl)-
BOC Sciences
For experimental / research use only.
Ethanone, 1-(3,5-dimethyl-2-furanyl)-
Carbosynth
For experimental / research use only.
1-(3,5-Dimethyl-2-Furanyl)-Ethanone
Parchem
2-acetyl-3,5-dimethyl furan
Penta International
2-ACETYL-3,5-DIMETHYL FURAN, Kosher
 
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
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-acetyl-3,5-dimethyl furan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.002 (μg/capita/day)
Structure Class: II
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
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: --
granulated sugar: --
gravies: 5.0000025.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: 7.0000035.00000
meat products: 20.00000100.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 3.00000-
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 15.0000075.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):
Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf
Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 67 Revision 2 (FGE.67Rev2): Consideration of 28 furan-substituted compounds evaluated by JECFA at the 55th, 65th and 69th meetings (JECFA, 2001, 2006a, 2009b)
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 579675
National Institute of Allergy and Infectious Diseases: Data
 1-(3,5-dimethylfuran-2-yl)ethanone
Chemidplus: 0022940869
 
References:
 1-(3,5-dimethylfuran-2-yl)ethanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 579675
Pubchem (sid): 135312079
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB32159
FooDB: FDB008891
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
 
Potential Blenders and core components note
For Odor
amber
cistus ladaniferus resinoid
FR
balsamic
balsam ketone
FR
brachyleana hutchinsii wood oil
FR
clover nitrile
FR
conifer acetate
FR
fir balsam absolute
FR
guaiyl butyrate
FR
(Z)-3-
hexen-1-yl cinnamate
FR
hexyl cinnamate
FR
mastic resinoid
FR
alpha-
methyl cinnamyl alcohol
FR
myrrh resinoid
FR
octyl benzoate
FR
octyl cinnamate
FR
opoponax resinoid (balsamodendron kafal)
FR
phenyl salicylate
FR
caramellic
mesitene lactone
FR
floral
cyclohexyl propanol
FR
cyclohexyl salicylate
FR
dihydrogeranyl linalool
FR
2-
ethyl hexyl salicylate
FR
floral undecenone
FR
hawthorn acetate
FR
hyacinth ether
FR
phenyl acetaldehyde digeranyl acetal
FR
phenyl glycol diacetate
FR
phenyl propyl phenyl acetate
FR
fruity
cyclohexyl crotonate
FR
herbal
cardamom liquid resin
FR
chamomile oil morocco
FR
spicy
amyl isoeugenol
FR
tonka
tonka undecanone
FR
woody
cedarwood oil virginia
FR
cistus twig/leaf absolute
FR
guaiacwood oil 20% in gurjun balsam oil
FR
gurjun balsam oil
FR
alpha-
gurjunene
FR
juniper needle oil
FR
sandalwood oil west australia (santalum spicata)
FR
santall
FR
vetiver resinoid
FR
woody acetate
FR
(Z)-
woody amylene
FR
woody octene
FR
For Flavor
No flavor group found for these
7-
methoxycoumarin
FL
4'-
hydroxyacetophenone
FL
levisticum officinale seed oil
FL
floral
floral
pseudo
ionone
FL
fruity
2-
butyryl furan
FL
nutty
furfural acetone
FL
spicy
benzylidene acetone
FL
 
Potential Uses:
 balsam 
 
Occurrence (nature, food, other): note
 not found in nature
 
Synonyms:
2-acetyl-3,5-dimethylfuran
1-(3,5-dimethyl-2-furanyl) ethanone
1-(3,5-dimethyl-2-furanyl)-ethanone
3,5-dimethyl-2-furyl methyl ketone
1-(3,5-dimethyl-2-furyl)ethanone
3,5-dimethyl-2-furylmethyl ketone
1-(3,5-dimethylfuran-2-yl)ethanone
 ethanone, 1-(3,5-dimethyl-2-furanyl)-
 
 
Notes:
Used as a food additive [EAFUS]
 
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