Articles:
| Info: | maltol and related substances |
2-hexyl-5(or 6)-keto-1,4-dioxane
Notes:
Used as a food additive [EAFUS] Perfumery and flavour ingredient. Component of FEMA 2574 Flavouring ingredient
-
Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
-
| CAS Number: | 65504-97-4 |  3D/inchi
|
| FDA UNII: | JIF6FD0DPG | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 186.25106000 | |
| Formula: | C10 H18 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 59646-18-3 |  3D/inchi
|
| FDA UNII: | 253TJ775PU | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 186.25106000 | |
| Formula: | C10 H18 O3 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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 |
| JECFA Food Flavoring: | 1486 2-hexyl-5 or 6-keto-1,4-dioxane 1486 2-hexyl-5 or 6-keto-1,4-dioxane |
| FDA Mainterm (SATF): | 977043-60-9 ; 2-HEXYL-5 OR 6-KETO-1,4-DIOXANE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.28000 to 1.28600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 10.651 to 10.701 |
| Refractive Index: | 1.48600 to 1.49200 @ 20.00 °C. |
| Boiling Point: | 104.00 °C. @ 15.00 mm Hg |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 245.00 °F. TCC ( 118.33 °C. ) |
| logP (o/w): | 1.581 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 3899 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| 2-amyl-5 or 6-keto-1,4-dioxane | |
| 2-butyl-5(6)-keto-1,4-dioxane | |
Organoleptic Properties:
| Odor Type: nutty | |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| sweet nutty | |
| Odor Description: at 1.00 % in dipropylene glycol. | sweet nutty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| 2-hexyl-5 or 6-keto-1,4-dioxane |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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 2-hexyl-5 or 6-keto-1,4-dioxane usage levels up to: | |||
| not for fragrance use. | |||
| 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: | - | 5.00000 | |
| 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:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6455146 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 5-hexyl-1,4-dioxan-2-one | |
| Chemidplus: | 0065504974 |
| 6-hexyl-1,4-dioxan-2-one | |
| Chemidplus: | 0059646183 |
References:
| 5-hexyl-1,4-dioxan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 65504-97-4 |
| Pubchem (cid): | 6455146 |
| Pubchem (sid): | 135194483 |
| 6-hexyl-1,4-dioxan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 59646-18-3 |
| Pubchem (cid): | 19993347 |
| Pubchem (sid): | 319364701 |
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): | HMDB39582 |
| FooDB: | FDB019212 |
| Export Tariff Code: | 2932.29.6000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| nut | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1,4- | dioxan-2-one, 5-hexyl- |
| 1,4- | dioxan-2-one, 5(or 6)-hexyl- |
| 5(or 6)- | hexyl-1,3-dioxan-4-one |
| 5 or 6- | hexyl-1,4-dioxan-2-one |
| 5- | hexyl-1,4-dioxan-2-one |
| 6- | hexyl-1,4-dioxan-2-one |
| 1 or 2- | hexyl-2-hydroxyethoxyacetic acid delta-lactone |
| 2- | hexyl-5-keto-1,4-dioxane |
| 2- | hexyl-5(or 6)-keto-1,4-dioxane |