| Preferred name | propylene glycol acetone ketal |
| Trivial Name | 2,2,4-trimethyl-1,3-dioxolane |
| Short Description | 2,2,4-trimethyl-1,3-oxacyclopentane |
| Formula | C6 H12 O2 |
| CAS Number | 1193-11-9 |
| CAS Number | 1193-11-9 (R) |
| CAS Number | 1193-11-9 (S) |
| FEMA Number | 3441 |
| Flavis Number | 6.098 |
| ECHA Number | 214-766-0 |
| FDA UNII | Z0H09N14AR |
| Nikkaji Number | J121.006H |
| MDL | MFCD00090841 |
| COE Number | 11423 |
| xLogP3-AA | 0.90 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 929 2,2,4-trimethyl-1,3-oxacyclopentane |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1193-11-9 ; 2,2,4-TRIMETHYL-1,3-OXACYCLOPENTANE |
| Synonyms |
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| 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): | HMDB37266 |
| FooDB: | FDB016283 |
| Export Tariff Code: | 2932.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Material listed in food chemical codex | No |
| Molecular weight | 116.16004180908 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.481 to 7.531 |
| Refractive Index | 1.393 to 1.398 @ 20 °C |
| Boiling Point | 98 to 99°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 32.263 mmHg @ 25 °C |
| Flash Point TCC Value | 18.89 °C TCC |
| logP (o/w) | 0.999 est |
| Solubility | |
| alcohol | Yes |
| water, 111000 mg/L @ 18C (exp) | Yes |
| Odor Type: Vegetable | |
| earthy, ethereal, green, vegetable, asparagus, potato raw potato, tomato, tomato leaf, musty | |
| Luebke, William tgsc, (2009) | At 100.00 %. earthy ethereal green vegetable asparagus raw potato tomato tomato leaf |
| Mosciano, Gerard P&F 21, No. 3, 51, (1996) | Earthy, green, vegetative, musty, raw potato and tomato |
| Flavor Type: Green | |
| green, earthy, ethereal, vegetable, musty, tomato, potato raw potato, potato | |
| Luebke, William tgsc, (2009) | Green earthy ethereal vegetable musty tomato raw potato |
| Mosciano, Gerard P&F 21, No. 3, 51, (1996) | At 25.00 ppm. Green, earthy, vegetative and musty with tomato and potato nuances |
| (data available) |
| Applications | |
| Odor purposes | Earth |
| Flavoring purposes | Coffee , Green , Loganberry , Potato , Tomato , Vegetable |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 33 - Take precautionary measures against static discharge. 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: | |||
| flavoring agents | |||
| Recommendation for propylene glycol acetone ketal usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (μg/capita/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: 8 | |||
| Click here to view publication 8 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 4.00000 | |
| beverages(alcoholic): | - | 1.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 4.00000 | |
| confectionery froastings: | - | 6.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 4.00000 | |
| fruit ices: | - | 4.00000 | |
| gelatins / puddings: | - | 4.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.00000 | |
| 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 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab) 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 :62384 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1091 |
| WGK Germany:1 |
| 2,2,4-trimethyl-1,3-dioxolane |
| Chemidplus:0001193119 |
| (4R)-2,2,4-trimethyl-1,3-dioxolane |
| (4S)-2,2,4-trimethyl-1,3-dioxolane |