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Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Soluble in: |
| | water, 1.975 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor Type: woody |
| woody peppery agarwood |
| Odor Description:at 1.00 % in dipropylene glycol. woody peppery agarwood |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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 | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
|
Not determined
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| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
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Safety in Use Information:
| Category: | | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| 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: | 0.00100 | 0.02000 |
| beverages(nonalcoholic): | 0.00010 | 0.00500 |
| beverages(alcoholic): | 0.00010 | 0.00500 |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | 0.00100 | 0.02000 |
| condiments / relishes: | - | - |
| confectionery froastings: | 0.00030 | 0.00500 |
| egg products: | 0.00030 | 0.00500 |
| fats / oils: | 0.02000 | 0.20000 |
| fish products: | 0.00030 | 0.00500 |
| frozen dairy: | 0.00020 | 0.00300 |
| fruit ices: | 0.00020 | 0.00300 |
| gelatins / puddings: | 0.00030 | 0.00200 |
| granulated sugar: | - | - |
| gravies: | 0.00100 | 0.01000 |
| hard candy: | 0.00100 | 0.01000 |
| imitation dairy: | 0.00100 | 0.01000 |
| instant coffee / tea: | 0.00010 | 0.00100 |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | 0.00100 | 0.01000 |
| nut products: | 0.00100 | 0.01000 |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 0.10000 | 1.00000 |
| snack foods: | 0.00100 | 0.01000 |
| soft candy: | 0.00100 | 0.01000 |
| soups: | 0.00010 | 0.00200 |
| sugar substitutes: | - | - |
| sweet sauces: | 0.00100 | 0.01000 |
Safety References:
References:
| | (3S,5R,8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-azulen-1-one |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5321003 |
| Pubchem (cas): | 18374-76-0 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 1(2H)- | azulenone, 3,4,5,6,7,8-hexahydro-3,8-dimethyl-5-(1-methylethenyl)-, (3S,5R,8S)- | | (-)- | guaia-1(5),11-dien-2-one | | (-)- | rotundone |
Articles:
| PubMed:Identification and Characterization of 3-epi-Rotundone, a Novel Stereoisomer of Rotundone, in Several Kinds of Fruits. |
| PubMed:Quantitation of Rotundone in Grapefruit (Citrus paradisi) Peel and Juice by Stable Isotope Dilution Assay. |
| PubMed:Identification of Rotundone as a Potent Odor-Active Compound of Several Kinds of Fruits. |
| PubMed:Characterisation of aroma-active and off-odour compounds in German rainbow trout (Oncorhynchus mykiss). Part II: Case of fish meat and skin from earthen-ponds farming. |
| PubMed:Comparison data of common and abundant terpenes at different grape development stages in Shiraz wine grapes. |
| PubMed:Distribution of Rotundone and Possible Translocation of Related Compounds Amongst Grapevine Tissues in Vitis vinifera L. cv. Shiraz. |
| PubMed:Constituents of Cypriol Oil (Cyperus scariosus R.Br.): N-Containing Molecules and Key Aroma Components. |
| PubMed:Straightforward strategy for quantifying rotundone in wine at ngL(-1) level using solid-phase extraction and gas chromatography-quadrupole mass spectrometry. Occurrence in different varieties of spicy wines. |
| PubMed:Fragrant Sesquiterpene Ketones as Trace Constituents in Frankincense Volatile Oil of Boswellia sacra. |
| PubMed:Terpene evolution during the development of Vitis vinifera L. cv. Shiraz grapes. |
| PubMed:Key enzymes behind black pepper aroma in wines. |
| PubMed:Cytochrome P450 CYP71BE5 in grapevine (Vitis vinifera) catalyzes the formation of the spicy aroma compound (-)-rotundone. |
| PubMed:Two key polymorphisms in a newly discovered allele of the Vitis vinifera TPS24 gene are responsible for the production of the rotundone precursor α-guaiene. |
| PubMed:Environmental Factors and Seasonality Affect the Concentration of Rotundone in Vitis vinifera L. cv. Shiraz Wine. |
| PubMed:Carbocations and the Complex Flavor and Bouquet of Wine: Mechanistic Aspects of Terpene Biosynthesis in Wine Grapes. |
| PubMed:Within-Vineyard, Within-Vine, and Within-Bunch Variability of the Rotundone Concentration in Berries of Vitis vinifera L. cv. Shiraz. |
| PubMed:Shiraz wines made from grape berries (Vitis vinifera) delayed in ripening by plant growth regulator treatment have elevated rotundone concentrations and "pepper" flavor and aroma. |
| PubMed:Comparison of the formation of peppery and woody sesquiterpenes derived from α-guaiene and α-bulnesene under aerial oxidative conditions. |
| PubMed:Mechanistic studies on the autoxidation of α-guaiene: structural diversity of the sesquiterpenoid downstream products. |
| PubMed:Production of the pepper aroma compound, (-)-rotundone, by aerial oxidation of α-guaiene. |
| PubMed:Characterization of the key aroma compounds in Shiraz wine by quantitation, aroma reconstitution, and omission studies. |
| PubMed:Biosynthesis of sesquiterpenes in grape berry exocarp of Vitis vinifera L.: evidence for a transport of farnesyl diphosphate precursors from plastids to the cytosol. |
| PubMed:Vineyard and fermentation studies to elucidate the origin of 1,8-cineole in Australian red wine. |
| PubMed:Relationship of changes in rotundone content during grape ripening and winemaking to manipulation of the 'peppery' character of wine. |
| PubMed:Effective analysis of rotundone at below-threshold levels in red and white wines using solid-phase microextraction gas chromatography/tandem mass spectrometry. |
| PubMed:Determination of rotundone, the pepper aroma impact compound, in grapes and wine. |
| PubMed:From wine to pepper: rotundone, an obscure sesquiterpene, is a potent spicy aroma compound. |
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3D/inchi