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1-(hexyloxy)-1-(3-methylbutoxy)hexane
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 896447-13-5 |  3D/inchi
|
| % from: | 50.00% to 52.00% | |
| FDA UNII: | 7ZP0QL6F0R | |
| Nikkaji Web: | J2.651.359F | |
| XlogP3-AA: | 6.50 (est) | |
| Molecular Weight: | 272.47232000 | |
| Formula: | C17 H36 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | hexanal dihexyl acetal 25.00% to 27.00% | |
| hexanal diisoamyl acetal 20.00% to 22.00% | ||
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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1735 hexanal hexyl isoamyl acetal |
| FEMA Number: | 4369 hexanal hexyl isoamyl acetal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 896447-13-5 ; HEXANAL HEXYL ISOAMYL ACETAL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.83500 to 0.84000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.948 to 6.990 |
| Refractive Index: | 1.42700 to 1.43200 @ 20.00 °C. |
| Boiling Point: | 250.00 to 252.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.025000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 121.00 °F. TCC ( 49.40 °C. ) (est) |
| logP (o/w): | 6.470 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.04657 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: at 100.00 %. | sweet green |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Aston Chemical |
| For experimental / research use only. |
| Hexanal Hexyl Isoamyl Acetal |
| Parchem |
| hexanal hexyl isoamyl acetal |
| 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: | flavor and fragrance agents | ||
| Recommendation for hexanal hexyl isoamyl acetal usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| 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: | - | - | |
| beverages(nonalcoholic): | 0.20000 | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.50000 | 3.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 0.50000 | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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 |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 57355543 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-(hexyloxy)-1-(3-methylbutoxy)hexane | |
| Chemidplus: | 0896447135 |
References:
| 1-(hexyloxy)-1-(3-methylbutoxy)hexane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 57355543 |
| Pubchem (sid): | 163642846 |
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): | HMDB32317 |
| FooDB: | FDB009565 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| green | FL |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| aldehyde C-6 hexyl isoamyl acetal | |
| (+/-)-1- | hexoxy-1-isopentyloxy-hexane |
| 1- | hexoxy-1-isopentyloxy-hexane, (+/-)- |
| 1- | hexyl oxy-1-(3-methyl butyl) oxyhexane |
| 1- | hexyloxy-1-(3-methylbutoxy)hexane |
| 1- | hexyloxy-1-(3-methylbutyl)oxyhexane |
| 1-( | hexyloxy)-1-(3-methylbutoxy)hexane |
| 1-( | hexyloxy)-1-(3-methylbutyloxy)hexane |