Articles:
| Info: | maltol and related substances |
5(or 6)-butyl-p-dioxan-2-one
Notes:
Mixed isomers used in food flavouring, esp. for fatty foods such as margarine
| CAS Number: | 65504-95-2 |  3D/inchi
|
| FDA UNII: | 15H8JFR63T | |
| CoE Number: | 2206 | |
| XlogP3-AA: | 1.60 (est) | |
| Molecular Weight: | 158.19718000 | |
| Formula: | C8 H14 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | 2-butyl-5- or 6-keto-1,4-dioxane | |
| EFSA/JECFA Comments: | JECFA CASrn: 65504-95-2 does not specify stereoisomers. CASrn in Register to be changed. Mixture of 5-butyl- and 6-butyl-1,4-dioxane-2-one: 65% 5- and 32 % 6-isomer (sum isomers > 95%). Racemate (EFFA, 2010a). Change CASrn to 65504-95-2. | |
Category: flavoring 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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1484 2-butyl-5- or 6-keto-1,4-dioxane |
| DG SANTE Food Flavourings: | 13.028 2-butyl-5- or 6-keto-1,4-dioxane |
| FEMA Number: | 2204 2-butyl-5- or 6-keto-1,4-dioxane |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 65504-95-2 ; 2-BUTYL-5 OR 6-KETO-1,4-DIOXANE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| alcohol | |
| water, 3.656e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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: | flavoring agents | ||
| Recommendation for 5(or 6)-butyl-1,4-dioxan-2-one usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.43 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.50 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | 5.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.00000 | |
| 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... |
| 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 : | 24847851 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 5-butyl-1,4-dioxan-2-one | |
| Chemidplus: | 0065504952 |
References:
| 5-butyl-1,4-dioxan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 65504-95-2 |
| Pubchem (cid): | 24847851 |
| Pubchem (sid): | 135317611 |
Other Information:
| (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): | HMDB37147 |
| FooDB: | FDB016142 |
Potential Blenders and core components note
Potential Uses:
| fruit | FR | |
| fruit tropical fruit | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 5- | butyl-1,4-dioxan-2-one |
| 2- | butyl-5- or 6-keto-1,4-dioxane |
| 5(or 6)- | butyl-p-dioxan-2-one |
| 5(or 6)- | butyl-para-dioxan-2-one |