| Preferred name | caramel pentadione |
| Trivial Name | 3,4-dimethylcyclopentane-1,2-dione |
| Short Description | 3,4-dimethyl-1,2-cyclopentadione |
| Formula | C7 H10 O2 |
| CAS Number | 13494-06-9 |
| CAS Number | 13494-06-9 (RR) |
| CAS Number | 13494-06-9 (RS) |
| CAS Number | 13494-06-9 (SR) |
| CAS Number | 13494-06-9 (SS) |
| Deleted CAS Number | 825650-60-0 |
| FEMA Number | 3268 |
| Flavis Number | 7.075 |
| ECHA Number | 236-810-8 |
| FDA UNII | 50AIF51OCI |
| Nikkaji Number | J241.145H |
| MDL | MFCD00143063 |
| COE Number | 2234 |
| xLogP3-AA | 0.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 420 3,4-dimethyl-1,2-cyclo-pentanedione |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 13494-06-9 ; 3,4-DIMETHYL-1,2-CYCLOPENTADIONE |
| Synonyms |
|
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
| (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): | HMDB37026 |
| FooDB: | FDB016006 |
| Export Tariff Code: | 2914.29.0090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 126.15509796143 |
| Melting Point | 68 to 72°C @ 760 mm Hg |
| Vapor Pressure | 0.633 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 0.796 est |
| Solubility | |
| alcohol | Yes |
| water, 1.211e+005 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| stable in most media | Unspecified |
| Odor Type: Caramellic | |
| sweet, maple, caramellic, sugar, fenugreek, licorice | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 236 hour(s) at 10.00 % in dipropylene glycol |
| Luebke, William tgsc, (1988) | At 1.00 % in dipropylene glycol. sweet maple caramel sugar fenugreek licorice |
| Flavor Type: Caramellic | |
| sweet, maple, fenugreek, burnt, caramellic, sugar burnt sugar, resinous, phenolic | |
| Luebke, William tgsc, (1988) | Sweet maple fenugreek burnt caramellic burnt sugar resinous phenolic |
| (data available) |
| Applications | |
| Odor purposes | Butterscotch , Coffee , Fenugreek , Maple , Tobacco , Toffee , Tonka bean , Vanilla |
| Flavoring purposes | Caramel , Fenugreek |
| Cosmetic purposes | Perfuming agents |
| 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 | |
| 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: | - | - | |
| 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 |