Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | white to amber crystals (est) |
Assay: | 98.00 to 100.00 %
|
Food Chemicals Codex Listed: | No |
Melting Point: | 68.00 to 72.00 °C. @ 760.00 mm Hg
|
Boiling Point: | 187.37 °C. @ 760.00 mm Hg (est)
|
Vapor Pressure: | 0.633000 mmHg @ 25.00 °C. (est) |
Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. )
|
logP (o/w): | 0.796 (est) |
Soluble in: |
| alcohol | | water, 1.211e+005 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Stability: |
| stable in most media |
Organoleptic Properties:
|
Odor Type: caramellic |
|
Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
|
Substantivity: | 236 hour(s) at 10.00 % in dipropylene glycol |
|
| sweet maple caramellic sugar fenugreek licorice |
Odor Description: at 1.00 % in dipropylene glycol. | sweet maple caramel sugar fenugreek licorice Luebke, William tgsc, (1988) |
|
|
Flavor Type: caramellic |
|
| sweet maple fenugreek burnt caramellic sugar burnt sugar resinous phenolic |
Taste Description:
| sweet maple fenugreek burnt caramellic burnt sugar resinous phenolic Luebke, William tgsc, (1988) |
|
Odor and/or flavor descriptions from others (if found). |
|
|
Cosmetic Information:
Suppliers:
Anhui Haibei |
3,4-Dimethyl-2-hydroxy-2-cyclopenten-1-one
|
Aromiens International |
Caramel Pentadione
|
Beijing Lys Chemicals |
3,4-Dimethyl-1,2-cyclopentadione
|
BOC Sciences |
For experimental / research use only. |
3,4-Dimethyl-1,2-Cyclopentanedione
|
Carbosynth |
For experimental / research use only. |
3,4-Dimethyl-1,2-cyclopentanedione
|
Ernesto Ventós |
3,4-DIMETHYL-1,2-CYCLOPENTADIONE
Odor: MAPLE,WALNUT,SWEET,CARAMEL,LICORICE |
Indukern F&F |
METHYL CORYLONE
Odor: SWEET, MAPLE, CARAMEL |
Lluch Essence |
3,4-DIMETHYL 1,2-CICLOPENTADIONE
|
M&U International |
3,4-DIMETHYL-2-HYDROXY-2-CYCLOPENTENYL-1-ONE, Kosher
|
Moellhausen |
CARAMEL PENTADIONE
|
Penta International |
3,4-DIMETHYL-1,2-CYCLOPENTADIONE NATURAL 1% IN ETHYL ALCOHOL
|
Penta International |
3,4-DIMETHYL-1,2-CYCLOPENTADIONE NATURAL 1% IN P.G.
|
Penta International |
3,4-DIMETHYL-1,2-CYCLOPENTADIONE NATURAL 1% IN TRIACETIN
|
Penta International |
3,4-DIMETHYL-1,2-CYCLOPENTADIONE NATURAL 5% IN ETHYL ALCOHOL
|
Penta International |
3,4-DIMETHYL-1,2-CYCLOPENTADIONE NATURAL 5% IN TRIACETIN
|
Penta International |
3,4-DIMETHYL-1,2-CYCLOPENTADIONE
|
R C Treatt & Co Ltd |
3,4-Dimethyl-1,2-cyclopentadione
Halal, Kosher |
Santa Cruz Biotechnology |
For experimental / research use only. |
3,4-Dimethyl-1,2-cyclopentanedione
|
Sigma-Aldrich |
3,4-Dimethyl-1,2-cyclopentadione, ≥97%, FG
Odor: anise; herbaceous |
Certified Food Grade Products |
Sunaux International |
3,4-Dimethyl-2-hydroxy-2-cyclopentenyl-1-one
|
Synerzine |
3,4-Dimethyl-1,2-cyclopentadione
|
TCI AMERICA |
For experimental / research use only. |
3,4-Dimethyl-1,2-cyclopentanedione >98.0%(T)
|
Tianjin Danjun International |
3,4-Dimethyl-1,2-cyclopentadione
|
United International |
3,4-Dimethyl-2-Hydroxy-2-Cyclopentenyl-1-One
|
Vigon International |
Dimethyl-3,4 1,2-Cyclopentadione (Methyl Corylone)
Odor: Sweet,Brown,Maple |
WholeChem |
3,4-Dimethyl-1,2-cyclopentadione
|
Safety Information:
Preferred SDS: View |
European information : |
Most important hazard(s): | Xn - Harmful. |
R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
|
|
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: | 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 caramel pentadione usage levels up to: | | 1.0000 % in the fragrance concentrate.
|
|
Maximised Survey-derived Daily Intakes (MSDI-EU): | 30.00 (μg/capita/day) |
Maximised Survey-derived Daily Intakes (MSDI-USA): | 2.00 (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: 5 |
Click here to view publication 5 |
| average usual ppm | average maximum ppm |
baked goods: | - | - |
beverages(nonalcoholic): | - | - |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | 1.90000 |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | - | - |
fish products: | - | 3.50000 |
frozen dairy: | - | 0.30000 |
fruit ices: | - | 0.30000 |
gelatins / puddings: | - | - |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | - | 4.00000 |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | - |
milk products: | - | - |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | - | - |
soups: | - | - |
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): |
Flavouring Group Evaluation 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 213, Revision 2 (FGE.213Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19 View page or View pdf |
Safety and efficacy of secondary aliphatic saturated or unsaturated alcohols, ketones, ketals and esters with a second secondary or tertiary oxygenated functional group belonging to chemical group 10 when used as flavourings for all animal species View page or View pdf |
EPI System: | View |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 13494-06-9 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 61633 |
National Institute of Allergy and Infectious Diseases: | Data |
WGK Germany: | 3 |
| 3,4-dimethylcyclopentane-1,2-dione |
Chemidplus: | 0013494069 |
| (3R,4R)-3,4-dimethylcyclopentane-1,2-dione |
| (3R,4S)-3,4-dimethylcyclopentane-1,2-dione |
| (3S,4R)-3,4-dimethylcyclopentane-1,2-dione |
| (3S,4S)-3,4-dimethylcyclopentane-1,2-dione |
References:
| 3,4-dimethylcyclopentane-1,2-dione |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 13494-06-9 |
Pubchem (cid): | 61633 |
Pubchem (sid): | 135017184 |
| (3R,4R)-3,4-dimethylcyclopentane-1,2-dione |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 13494-06-9 |
Pubchem (cid): | 6997363 |
Pubchem (sid): | 43599222 |
| (3R,4S)-3,4-dimethylcyclopentane-1,2-dione |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 13494-06-9 |
Pubchem (cid): | 6997362 |
Pubchem (sid): | 43599221 |
| (3S,4R)-3,4-dimethylcyclopentane-1,2-dione |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 13494-06-9 |
Pubchem (cid): | 6997365 |
Pubchem (sid): | 43599224 |
| (3S,4S)-3,4-dimethylcyclopentane-1,2-dione |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 13494-06-9 |
Pubchem (cid): | 6997364 |
Pubchem (sid): | 43599223 |
Other Information:
Potential Blenders and core components note
|
For Odor |
acidic |
acidic |
| cyclohexyl acetic acid | FL/FR |
amber |
| ambroxan | FL/FR |
balsamic |
2- | acetyl furan | FL/FR |
| benzyl salicylate | FL/FR |
| fir balsam absolute | FR |
| myrrh oil | FL/FR |
3- | phenyl propyl alcohol | FL/FR |
berry |
| raspberry ketone | FL/FR |
bready |
| coffee furanone | FL/FR |
buttery |
| acetoin | FL/FR |
| acetyl propionyl | FL/FR |
3,4- | hexane dione | FL/FR |
2-oxo | butyric acid | FL/FR |
| caramel furanone solution | FL/FR |
| cyclotene | FL/FR |
| cyclotene hydrate | FL/FR |
alpha,alpha- | dimethyl anisyl acetone | FL/FR |
| ethyl 2-hydroxy-2-methyl butyrate | FL/FR |
| ethyl cyclopentenolone | FL/FR |
| ethyl furaneol | FL/FR |
| ethyl maltol | FL/FR |
5- | ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one | FL/FR |
| fenugreek absolute | FL/FR |
| fenugreek oleoresin | FL/FR |
| geranyl crotonate | FR |
cis-2- | hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one | |
| immortelle absolute | FL/FR |
| levulinic acid | FL/FR |
| maltol | FL/FR |
| maltyl isobutyrate | FL/FR |
| maltyl propionate | FL/FR |
| maple furanone | FL/FR |
| menthone lactone | FL/FR |
| mesitene lactone | FR |
2- | methoxy-3,5-dimethyl-2-cyclopenten-1-one | |
5- | methyl furfural | FL/FR |
| rosefuran | FL/FR |
| shoyu furanone | FL/FR |
| strawberry furanone | FL/FR |
| toffee furanone | FL/FR |
chocolate |
2,4,5- | trimethyl thiazole | FL/FR |
citrus |
blood | orange oil italy | FL/FR |
coconut |
gamma- | heptalactone | FL/FR |
gamma- | octalactone | FL/FR |
coumarinic |
| tonka bean resinoid | FR |
creamy |
gamma- | butyrolactone | FL/FR |
ethereal |
| ethyl 4-pentenoate | FL/FR |
| ethyl pyruvate | FL/FR |
iso | valeraldehyde propylene glycol acetal | FL/FR |
fermented |
| ethyl (E)-2-crotonate | FL/FR |
floral |
| ethyl phenyl acetate | FL/FR |
| floral pyranol | FR |
| heliotropin | FL/FR |
| heliotropyl acetone | FL/FR |
alpha- | hexyl cinnamaldehyde | FL/FR |
| methyl dihydrojasmonate | FL/FR |
| mimosa absolute france | FL/FR |
| nerolidol | FL/FR |
| ocean propanal | FL/FR |
fruity |
beta- | damascone | FL/FR |
| date fragrance | FR |
gamma- | decalactone | FL/FR |
(E)- | ethyl tiglate | FL/FR |
| osmanthus flower absolute | FL/FR |
| tetrahydrofurfuryl acetate | FL/FR |
gamma- | undecalactone (aldehyde C-14 (so-called)) | FL/FR |
green |
iso | amyl 3-(2-furan) propionate | FL/FR |
| methyl octine carbonate | FL/FR |
(E,Z)-2,6- | nonadien-1-ol | FL/FR |
| violet leaf absolute | FL/FR |
hay |
| beeswax absolute | FL/FR |
herbal |
| butyl levulinate | FL/FR |
3- | propylidene phthalide | FL/FR |
honey |
| methyl phenyl acetate | FL/FR |
melon |
| melon heptenal | FL/FR |
(Z)-6- | nonenal | FL/FR |
moldy |
| strawberry furanone methyl ether | FL/FR |
mossy |
| veramoss (IFF) | FR |
musty |
3- | acetyl-2,5-dimethyl furan | FL/FR |
nutty |
2- | acetyl-3,5(or 6)-dimethyl pyrazine | FL/FR |
1,2- | cyclohexane dione | FL/FR |
2,3- | dimethyl pyrazine | FL/FR |
| nutty cyclohexenone | FL/FR |
phenolic |
4- | methyl-2,6-dimethoxyphenol | FL/FR |
popcorn |
2- | acetyl pyrazine | FL/FR |
2- | acetyl pyridine | FL/FR |
powdery |
para- | anisyl acetate | FL/FR |
| fenugreek resinoid | FL/FR |
spicy |
| cassia bark oil china | FL/FR |
black | currant bud absolute | FL/FR |
iso | eugenyl acetate | FL/FR |
(E)- | tiglic acid | FL/FR |
sugar |
| cotton candy fragrance | FR |
sweet |
2- | hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one | FL/FR |
| vanilla oleoresin bali | FL/FR |
tonka |
| tonka bean absolute | FR |
vanilla |
| ethyl vanillin | FL/FR |
| vanillin | FL/FR |
| vanillyl isobutyrate | FL/FR |
vegetable |
| tetrahydrofurfuryl alcohol | FL/FR |
woody |
| santall | FR |
|
For Flavor |
|
No flavor group found for these |
2- | acetyl-3,4,5,6-tetrahydropyridine | FL |
| allyl 2-furoate | FL |
| benzyl disulfide | FL |
1,2- | cyclohexane dione | FL/FR |
2,5- | diethyl tetrahydrofuran | FL |
alpha,alpha- | dimethyl anisyl acetone | FL/FR |
| ethyl 2-hydroxy-2-methyl butyrate | FL/FR |
| ethyl 4-pentenoate | FL/FR |
5- | ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one | FL/FR |
| furfuryl acetone | FL |
2- | hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one | FL/FR |
cis-2- | hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one | |
| menthone lactone | FL/FR |
2- | methoxy-3,5-dimethyl-2-cyclopenten-1-one | |
| rosefuran | FL/FR |
|
iso | amyl 3-(2-furan) propionate | FL/FR |
beta- | damascone | FL/FR |
acidic |
| levulinic acid | FL/FR |
apple |
(E,Z)-2,6- | nonadien-1-ol | FL/FR |
balsamic |
| benzyl salicylate | FL/FR |
| myrrh oil | FL/FR |
berry |
| heliotropyl acetone | FL/FR |
| raspberry ketone | FL/FR |
bready |
| mango furanone | FL |
brown |
| beeswax absolute | FL/FR |
2-oxo | butyric acid | FL/FR |
| fenugreek oleoresin | FL/FR |
5- | methyl furfural | FL/FR |
| tetrahydrofurfuryl acetate | FL/FR |
(E)- | tiglic acid | FL/FR |
burnt |
| furfuryl alcohol | FL |
buttery |
| butter maple flavor | FL |
| diacetyl | FL |
3,4- | hexane dione | FL/FR |
caramellic |
| caramel dione | FL |
| caramel furanone | FL |
| caramel furanone solution | FL/FR |
| cyclotene | FL/FR |
| cyclotene hydrate | FL/FR |
| ethyl furaneol | FL/FR |
| ethyl maltol | FL/FR |
5- | ethyl-3,4,5,6-tetramethyl cyclohexen-2-one | FL |
| fenugreek absolute | FL/FR |
| fenugreek resinoid | FL/FR |
| honey maple flavor | FL |
| lucuma flavor | FL |
| maltol | FL/FR |
| maltyl propionate | FL/FR |
| maple furanone | FL/FR |
3- | methyl butyl 2-furyl butyrate | FL |
| shoyu furanone | FL/FR |
| strawberry furanone | FL/FR |
| toffee furanone | FL/FR |
cherry |
| heliotropin | FL/FR |
citrus |
blood | orange oil italy | FL/FR |
coffee |
roasted | coffee bean concentrate | FL |
| coffee flavor | FL |
2- | thiophene thiol | FL |
corn |
2- | acetyl pyridine | FL/FR |
2- | acetyl-2-thiazoline | FL |
creamy |
| acetoin | FL/FR |
gamma- | undecalactone (aldehyde C-14 (so-called)) | FL/FR |
fatty |
(E,E)-2,4- | undecadienal | FL |
2,4- | undecadienal | FL |
floral |
| methyl dihydrojasmonate | FL/FR |
| methyl phenyl acetate | FL/FR |
| ocean propanal | FL/FR |
fruity |
para- | anisyl acetate | FL/FR |
| date flavor | FL |
gamma- | decalactone | FL/FR |
(E)- | ethyl tiglate | FL/FR |
| furfuryl valerate | FL |
| osmanthus flower absolute | FL/FR |
2- | pentanoyl furan | FL |
iso | valeraldehyde propylene glycol acetal | FL/FR |
green |
| immortelle absolute | FL/FR |
| melon heptenal | FL/FR |
| methyl octine carbonate | FL/FR |
| nerolidol | FL/FR |
(Z)-6- | nonenal | FL/FR |
3- | propylidene phthalide | FL/FR |
| violet leaf absolute | FL/FR |
herbal |
| butyl levulinate | FL/FR |
5- | hydroxymethyl furfural | FL |
honey |
| ethyl phenyl acetate | FL/FR |
jammy |
| ethyl cyclopentenolone | FL/FR |
| maltyl isobutyrate | FL/FR |
lactonic |
gamma- | heptalactone | FL/FR |
gamma- | octalactone | FL/FR |
meaty |
2- | mercaptomethyl pyrazine | FL |
milky |
gamma- | butyrolactone | FL/FR |
moldy |
| strawberry furanone methyl ether | FL/FR |
musty |
| ethyl (E)-2-crotonate | FL/FR |
nutty |
2- | acetyl furan | FL/FR |
3- | acetyl-2,5-dimethyl furan | FL/FR |
2- | acetyl-3,5(or 6)-dimethyl pyrazine | FL/FR |
| coffee furanone | FL/FR |
2,3- | dimethyl pyrazine | FL/FR |
| nutty cyclohexenone | FL/FR |
| peanut oxazole | FL |
| tetrahydrofurfuryl alcohol | FL/FR |
2,4,5- | trimethyl thiazole | FL/FR |
phenolic |
4- | methyl-2,6-dimethoxyphenol | FL/FR |
praline |
| praline flavor | FL |
roasted |
2- | acetyl pyrazine | FL/FR |
rummy |
| ethyl pyruvate | FL/FR |
spicy |
| cassia bark oil china | FL/FR |
black | currant bud absolute | FL/FR |
iso | eugenyl acetate | FL/FR |
3- | phenyl propyl alcohol | FL/FR |
sugar |
| cotton candy flavor | FL |
sweet |
| cyclohexyl acetic acid | FL/FR |
dextro- | sorbitol | FL |
| vanilla oleoresin bali | FL/FR |
toasted |
| acetyl propionyl | FL/FR |
vanilla |
| ethyl vanillin | FL/FR |
| vanillin | FL/FR |
| vanillyl isobutyrate | FL/FR |
waxy |
| furfuryl octanoate | FL |
alpha- | hexyl cinnamaldehyde | FL/FR |
| mimosa absolute france | FL/FR |
woody |
| ambroxan | FL/FR |
|
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| caramel pentadione | 1,2- | cyclopentanedione, 3,4-dimethyl- | 3,4- | dimethyl cyclopentane-1,2-dione | 3,4- | dimethyl-1,2-cyclo-pentanedione | 3,4- | dimethyl-1,2-cyclopentadione | 3,4- | dimethyl-1,2-cyclopentadione natural 1% in ethyl alcohol | 3,4- | dimethyl-1,2-cyclopentadione natural 5% in ethyl alcohol | 3,4- | dimethyl-1,2-cyclopentane dione | 3,4- | dimethyl-1,2-cyclopentanedione | 3,4- | dimethyl-2-hydroxy-2-cyclopentenyl-1-one | | dimethyl-3 4 1 2-cyclopentadione | 3,4- | dimethylcyclopentan-1,2-dione | 3,4- | dimethylcyclopentane-1,2-dione | | methyl corylone (Givaudan) |
Articles:
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