Articles:
2(1H)-naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)-
Notes:
None found
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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: | 38427-80-4 |  3D/inchi
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| XlogP3-AA: | 4.40 (est) | |
| Molecular Weight: | 222.37142000 | |
| Formula: | C15 H26 O | |
| 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 |
| FEMA Number: | 4840 (±)-tetrahydronootkatone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 70.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99500 to 0.96500 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.289 to 8.039 |
| Refractive Index: | 1.48000 to 1.49600 @ 20.00 °C. |
| Optical Rotation: | +51.00 to +38.00 |
| Boiling Point: | 292.00 to 293.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 253.00 °F. TCC ( 123.00 °C. ) (est) |
| logP (o/w): | 4.651 (est) |
| Soluble in: | |
| alcohol | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: woody | |
| Odor Strength: | medium |
| dusty woody fresh green sour spicy herbal fruity animal | |
| Odor Description: at 100.00 %. | dusty woody fresh green sour spicy herbal fruity animal |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| 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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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: 28 | |||
| Click here to view publication 28 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 0.20000 | 5.00000 | |
| beverages(alcoholic): | 0.50000 | 5.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 1.00000 | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.60000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | 0.50000 | 2.00000 | |
| fish products: | - | - | |
| frozen dairy: | 0.20000 | 1.00000 | |
| fruit ices: | 0.20000 | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.60000 | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.30000 | 5.00000 | |
| jams / jellies: | 0.50000 | 2.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.20000 | 5.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.05000 | 2.00000 | |
| snack foods: | - | - | |
| soft candy: | 0.60000 | 3.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 73045098 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 6-isopropyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one |
References:
| Leffingwell: | Chirality or Article |
| 6-isopropyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 73045098 |
| Pubchem (cas): | 38427-80-4 |
| Pherobase: | View |
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 |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 2(1H)- | naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)- |
| (+)-(4R,4aS,6R,8aS)-6-iso | propyl-4,4a-dimethyl octahydronaphthalen-2(1H)-one |
| 6-iso | propyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one |
| ((+)-(4R,4aS,6R,8aS)- | tetrahydronootkatone |