Articles:
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Notes:
Fruit topnotes. Used as a food additive [EAFUS]
| Fragrance Demo Formulas | ||
| Name: | ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate | |
| CAS Number: | 6290-17-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 228-536-2 | |
| FDA UNII: | 087792Q4F6 | |
| Nikkaji Web: | J37.791K | |
| MDL: | MFCD00151819 | |
| FEMA Number: | 4294 | |
| XlogP3-AA: | 0.70 (est) | |
| Molecular Weight: | 188.22332000 | |
| Formula: | C9 H16 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance 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 |
| JECFA Food Flavoring: | 1715 cis- and trans-ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate |
| Flavis Number: | 06.087 (Old) |
| DG SANTE Food Flavourings: | 06.087 ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate |
| FEMA Number: | 4294 cis- and trans-ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate |
| FDA Mainterm: | CIS- AND TRANS-ETHYL 2,4-DIMETHYL-1,3-DIOXOLANE-2-ACETATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.03800 to 1.04600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.637 to 8.704 |
| Specific Gravity: | 1.03900 to 1.04700 @ 20.00 °C. |
| Pounds per Gallon - est.: | 8.656 to 8.722 |
| Refractive Index: | 1.42500 to 1.43000 @ 20.00 °C. |
| Melting Point: | -68.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 110.00 °C. @ 27.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| PH Number: | 6.40 |
| Vapor Pressure: | 0.112000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 195.00 °F. TCC ( 90.56 °C. ) |
| logP (o/w): | 1.512 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| water, 72 mg/L @ 20 °C (exp) | |
| Stability: | |
| alcoholic lotion | |
| antiperspirant | |
| deo stick | |
| detergent | |
| fabric softener | |
| hard surface cleaner | |
| shampoo | |
| soap | |
Organoleptic Properties:
| Odor Type: | fruity |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | fresh fruity apple strawberry licorice |
| Substantivity: | 12 Hour(s) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety Information:
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for fruity ketal usage levels up to: | |||
| 30.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 22.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 9800 (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: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 50.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 5.00000 | 25.00000 | |
| cheese: | 7.00000 | 35.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 5.00000 | 10.00000 | |
| confectionery froastings: | 10.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | 2.00000 | 10.00000 | |
| frozen dairy: | 7.00000 | 35.00000 | |
| fruit ices: | 10.00000 | 50.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 20.00000 | 100.00000 | |
| hard candy: | - | - | |
| imitation dairy: | 7.00000 | 35.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 2.00000 | 10.00000 | |
| milk products: | 7.00000 | 35.00000 | |
| nut products: | - | - | |
| other grains: | 5.00000 | 25.00000 | |
| poultry: | 2.00000 | 10.00000 | |
| processed fruits: | 7.00000 | 35.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 10.00000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 5.00000 | 10.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 5.00000 | 10.00000 | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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): | |
| Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th 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 evaluated by EFSA in FGE.10Rev1 (2009) View page or View pdf | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 6290-17-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 95392 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate | |
| Chemidplus: | 0006290171 |
References:
| ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 6290-17-1 |
| Pubchem (cid): | 95392 |
| Pubchem (sid): | 135052695 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32200 |
| FooDB: | FDB009181 |
| Export Tariff Code: | 2915.39.9050 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| acetoacetic acid, ethyl ester, 1,2-propylene ketal | |
| dimethyl dioxolan | |
| dimethyl dioxolane | |
| 2,4- | dimethyl-1,3-dioxolane-2-acetic acid ethyl ester |
| 2,4- | dimethyl-1,3-dioxolane-2-ethyl acetate |
| dimethyldioxolan | |
| 1,3- | dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester |
| ethyl (2,4-dimethyl-1,3-dioxolan-2-yl)acetate | |
| ethyl 2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetate | |
| ethyl 2, 4-dimethyl-1,3-dioxolane-2-acetate | |
| ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate | |
| cis- and trans- | ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate |
| ethyl aceto acetate PG acetal | |
| ethyl acetoacetate propylene glycol ketal | |
| ethyl acetoacetate propyleneglycol ketal | |
| ethyl dimethyl dioxolane acetate | |
| ethyl dimethyl dioxolane-2-acetate | |
| ethyl-2,4-dimethyl-1,3-dioxolane-2-acetate | |
| (Z+E)- | ethyl-2,4-dimethyl-1,3-dioxolane-2-acetate |
| fragolane (Symrise) | |
| fraisberry (Tadimety) | |
| fraistone (IFF) | |
| fructone B | |
| fruity ketal | |
| methyl fragolan | |
| propyl fruitat | |
| strawberry ketal |