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theaspirane
General Material Information
| Preferred name | theaspirane |
| Trivial Name | Theaspirane |
| Short Description | 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene |
| Formula | C13 H22 O |
| CAS Number | 36431-72-8 |
| FEMA Number | 3774 |
| Flavis Number | 13.098 |
| ECHA Number | 253-031-9 |
| FDA UNII | 7371A7GT6E |
| Nikkaji Number | J52.337B |
| Beilstein Number | 1424383 |
| MDL | MFCD00085214 |
| COE Number | 10515 |
| xLogP3-AA | 3.00 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1238 theaspirane |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 36431-72-8 ; THEASPIRANE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| Leffingwell: | Chirality or Article |
| 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 36431-72-8 |
| Pubchem (cid): | 61953 |
| Pubchem (sid): | 135018915 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB36823 |
| FooDB: | FDB015771 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 194.31753540039 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Boiling Point | 68 to 72°C @ 3 mm Hg |
| Boiling Point | 274 to 275°C @ 760 mm Hg |
| Vapor Pressure | 0.028 mmHg @ 25 °C |
| Vapor Density | 6.6 |
| Flash Point TCC Value | 65 °C TCC |
| logP (o/w) | 4.057 est |
| Solubility | |
| alcohol | Yes |
| water, 3.796 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| tea, herbal, green, wet, tobacco, leafy, metallic, woody, spicy, cooling, minty, camphoreous, fresh | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 47 hour(s) at 100.00 % |
| Luebke, William tgsc, (1991) | At 1.00 % in dipropylene glycol. tea herbal green wet tobacco leaf metallic woody spicy |
| Mosciano, Gerard P&F 15, No. 6, 35, (1990) | Woody, cooling, minty and camphoreous, with a fresh green herbal nuance |
| Flavor Type: Cooling | |
| cooling, minty, camphoreous, herbal, pine | |
| Mosciano, Gerard P&F 15, No. 6, 35, (1990) | At 10.00 ppm. Cooling minty, camphoraceous, with an herbal and piney nuance |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Berry, Blackberry, Citrus, Grape, Grapefruit, Green, Guava, Herbal, Mint, Neroli, Passion fruit, Quince, Raspberry, Spice, Tobacco, Vanilla, Woody |
| Flavoring purposes | Fruit tropical fruit, Tea |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection. | |
| 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 | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for theaspirane usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.70 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 15 | |||
| Click here to view publication 15 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 20.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.50000 | |
| fruit ices: | - | 1.80000 | |
| gelatins / puddings: | - | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 3.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 2.50000 | |
| meat products: | - | - | |
| milk products: | - | 1.50000 | |
| 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... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 33 (FGE.33)[1] - Six Tetrahydrofuran Derivatives from Chemical Groups 13, 14, 16 and 26 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):36431-72-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61953 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene |
| Chemidplus:0036431728 |