4-acetyl-2,5-dimethyl-3(2H)-furanone, 36871-78-0

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CODE159028 CODE159028
Product(s):
36871-78-0 4-Acetyl-2,5-dimethyl-3(2H)-furanone

Penta International Corporation

Chemistry innovation
At Penta, our products and services help businesses do business better.
For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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CODE159028 CODE159028
Product(s):
01-07450 4-ACETYL-2,5-DIMETHYL-3(2H)-FURANONE

CAS Number:	36871-78-0	3D/inchi
FDA UNII:	Y1BRB2IA9F
XlogP3-AA:	0.70 (est)
Molecular Weight:	154.16530000
Formula:	C8 H10 O3
NMR Predictor:	Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Racemate (EFFA, 2015). CASrn 36871-78-0 to be introduced in the Register Safety evaluation not completed; mp: 34-35�

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

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

Organoleptic Properties:

Odor Type: caramellic

caramellic fruity raspberry

Odor Description:at 0.10 % in propylene glycol. caramellic fruity raspberry

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

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

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 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 ppm	average maximum ppm
baked goods:		0.50000	25.00000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		2.00000	10.00000
cheese:		3.00000	15.00000
chewing gum:		4.00000	20.00000
condiments / relishes:		-	-
confectionery froastings:		4.00000	20.00000
egg products:		-	-
fats / oils:		2.00000	10.00000
fish products:		1.00000	5.00000
frozen dairy:		3.00000	15.00000
fruit ices:		3.00000	15.00000
gelatins / puddings:		3.00000	15.00000
granulated sugar:		-	-
gravies:		2.00000	10.00000
hard candy:		4.00000	20.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		2.00000	10.00000
meat products:		1.00000	5.00000
milk products:		3.00000	15.00000
nut products:		-	-
other grains:		-	-
poultry:		1.00000	5.00000
processed fruits:		2.00000	10.00000
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		2.00000	10.00000
snack foods:		5.00000	25.00000
soft candy:		4.00000	20.00000
soups:		2.00000	10.00000
sugar substitutes:		-	-
sweet sauces:		-	-

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,�-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,�-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,�-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

References:

	4-acetyl-2,5-dimethylfuran-3-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	53426546
Pubchem (sid):	135336403

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