Preferred name | strawberry furanone acetate |
Trivial Name | (2,5-dimethyl-4-oxofuran-3-yl) acetate |
Short Description | 4-acetoxy-2,5-dimethyl-3(2H)-furanone |
Formula | C8 H10 O4 |
CAS Number | 4166-20-5 |
CAS Number | 4166-20-5 (R) |
CAS Number | 4166-20-5 (S) |
FEMA Number | 3797 |
Flavis Number | 13.099 |
FDA UNII | 2GV7TTS87D |
Nikkaji Number | J2.785.412E |
MDL | MFCD00799462 |
xLogP3-AA | 0.80 (est) |
NMR Predictor | External link |
JECFA Food Flavoring | 1456 4-acetoxy-2,5-dimethyl-3(2H)-furanone |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 4166-20-5 ; 4-ACETOXY-2,5-DIMETHYL-3(2H)-FURANONE |
Synonyms |
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NCBI | Start search |
(2,5-dimethyl-4-oxofuran-3-yl) acetate | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 4166-20-5 |
Pubchem (cid): | 61334 |
Pubchem (sid): | 135017882 |
Flavornet: | 4166-20-5 |
[(5R)-2,5-dimethyl-4-oxofuran-3-yl] acetate | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 4166-20-5 |
Pubchem (cid): | 6997368 |
Pubchem (sid): | 43599227 |
[(5S)-2,5-dimethyl-4-oxofuran-3-yl] acetate | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 4166-20-5 |
Pubchem (cid): | 6997367 |
Pubchem (sid): | 43599226 |
(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): | HMDB32966 |
FooDB: | FDB010953 |
Export Tariff Code: | 2932.19.0090 |
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 |
Material listed in food chemical codex | No |
Molecular weight | 170.16450500488 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 9.644 to 9.711 |
Refractive Index | 1.467 to 1.48 @ 20 °C |
Acid Value | 5 max KOH/g |
Vapor Pressure | 0.017 mmHg @ 25 °C |
Vapor Density | 5.6 |
Flash Point TCC Value | 100 °C TCC |
logP (o/w) | 0.368 est |
Solubility | |
alcohol | Yes |
water, 1.001e+004 mg/L @ 25 °C (est) | Yes |
oils | Yes |
propylene glycol | Yes |
water | No |
Odor Type: Caramellic | |
sweet, caramellic, tropical, fruity, sugar brown sugar, toffee, molasses, bread baked, fatty, sugar burnt sugar | |
Odor strength | high , recommend smelling in a 1.00 % solution or less |
Substantivity | 296 hour(s) at 100.00 % |
Luebke, William tgsc, (2009) | At 1.00 % in propylene glycol. sweet caramel tropical fruity brown sugar toffee molasses baked bread |
Flavor Type: Caramellic | |
sweet, caramellic, toffee, sugar brown sugar, molasses, tropical, strawberry, berry | |
Luebke, William tgsc, (2009) | Sweet caramellic toffee brown sugar molasses tropical strawberry berry |
Useful in: brown caramel, brown nuts, brown cocoa, brown others, vanilla, savory vegetable, savory meat, fruity red, fruity tropical. | Caramel, toffee, sweet, strawberry |
Used in strawberry and fruit flavours, and is particulary effective as a component in coffee flavors. Also used in caramel and meat flavors; in desserts and soft drinks at 80ppm, soft confection and soft drinks at 60ppm, dairy toppings at 40ppm, bakery and chewing gum at 3ppm. | Caramellic |
(data available) |
Applications | |
Odor purposes | Coffee , Cotton candy , Fruit , Pineapple , Strawberry , Toffee |
Flavoring purposes | Bakery , Beverage , Caramel , Dairy , Meat , Molasses , Sugar brown sugar |
Other purposes | Chewing gum , Confection |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xn - Harmful. | |
R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
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 |
Category: | |||
flavor and fragrance agents | |||
RIFM Fragrance Material Safety Assessment: Search | |||
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Recommendation for strawberry furanone acetate usage levels up to: | |||
0.5000 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 400.00 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | 8.00 (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: 17 | |||
Click here to view publication 17 | |||
average usual ppm | average maximum ppm | ||
baked goods: | 5.00000 | 10.00000 | |
beverages(nonalcoholic): | - | - | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | - | |
condiments / relishes: | - | - | |
confectionery froastings: | - | 2.00000 | |
egg products: | 5.00000 | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | - | |
fruit ices: | - | - | |
gelatins / puddings: | 2.00000 | 5.00000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | 2.00000 | 5.00000 | |
imitation dairy: | 2.00000 | 5.00000 | |
instant coffee / tea: | - | - | |
jams / jellies: | - | - | |
meat products: | 2.00000 | 5.00000 | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | 2.00000 | 5.00000 | |
soft candy: | 2.00000 | 5.00000 | |
soups: | 1.00000 | 2.00000 | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
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 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 99 (FGE.99): Consideration of furanone derivatives evaluated by the JECFA (63rd, 65th and 69th meetings) 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 the safety and efficacy of furanones and tetrahydrofurfuryl derivatives: 5-ethyl-3-hydroxy-4-methylfuran-2(5H)-one and 3-hydroxy-4,5-dimethylfuran-2(5H)-one (chemical group 13) when used as flavourings for all animal species 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 99 Revision 1 (FGE.99Rev1): Consideration of furanone derivatives evaluated by the JECFA (63rd, 65th and 69th meetings) 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 :61334 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
(2,5-dimethyl-4-oxofuran-3-yl) acetate |
Chemidplus:0004166205 |
[(5R)-2,5-dimethyl-4-oxofuran-3-yl] acetate |
[(5S)-2,5-dimethyl-4-oxofuran-3-yl] acetate |