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amber naphthofuran
General Material Information
| Preferred name | amber naphthofuran |
| Trivial Name | Cetalox |
| Short Description | 1,5,5,9-tetramethyl-13-oxatricyclo(8.3.0.0.(4.9))tridecane |
| Formula | C16 H28 O |
| CAS Number | 3738-00-9 |
| Deleted CAS Number | 193980-58-4 |
| FEMA Number | 3471 |
| Flavis Number | 13.072 |
| ECHA Number | 223-118-6 |
| FDA UNII | Search |
| Nikkaji Number | J205.641K |
| COE Number | 10514 |
| xLogP3-AA | 4.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1240 1,5,5,9-tetramethyl-13-oxatricyclo(8.3.0.0.(4.9))tridecane |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| 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 |
| 3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3738-00-9 |
| Pubchem (cid): | 107166 |
| Pubchem (sid): | 135063926 |
| 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 |
| Export Tariff Code: | 2932.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 236.39836120605 |
| Melting Point | 75 to 85°C @ 760 mm Hg |
| Boiling Point | 102 to 106°C @ 25 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.009 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 5.256 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 2.436 mg/L @ 25 °C (est) | Yes |
| Stability | |
| APC: traces - 1% | Unspecified |
| candle: traces - 1% | Unspecified |
| detergent: traces - 1% | Unspecified |
| fine fragrances: 0.5 - 5% | Unspecified |
| shampoo: traces - 0.5% | Unspecified |
| shower gel: traces - 0.5% | Unspecified |
| soap: traces - 0.5% | Unspecified |
| softener: traces - 1% | Unspecified |
Organoleptic Properties
| Odor Type: Amber | |
| dry, woody, amber, ambergris, musk, sweet | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 400 hour(s) at 10.00 % in dipropylene glycol |
| Luebke, William tgsc, (1986) | At 10.00 % in dipropylene glycol. dry woody amber ambergris musk sweet |
| Flavor Type: Amber | |
| amber, woody old wood, tobacco, powdery, dry, ambergris, animal | |
| Luebke, William tgsc, (1986) | Amber old wood tobacco powdery dry ambergris animal |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Agate, Amber, Ambergris, Ambreine, Ambrette oil replacer, Animal, Baby powder, Balsam, Bay rum, Bayberry, Blackberry, Blue grass, Blueberry, Bouquet, Cabreuva wood, Castoreum, Cedar forest, Christmas, Cigar, Clean linen, Coronilla, Deertongue absolute replacer, Earth, Fern, Fir balsam, Floral, Guaiacwood, Habuba, Hay new mown hay, Heather, Herbal, Hollyberry, Incense, Juniper berry, Labdanum, Leather, Leather russian leather, Maja, Moss, Musk, Ocean sea, Oriental, Patchouli, Pine forest, Powder, Rain, Raspberry, Sandalwood, Sea breeze, Spice, Spring rain, Sweet grass, Tobacco, Tonka bean, Vanilla, Woodruff, Woody |
| Flavoring purposes | Guaiacwood, Tea |
| Other purposes | Dry, Fantasy blends, Tweed |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 - Wear suitable protective clothing. | |
| 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 amber naphthofuran usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.20 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) | ||
| Structure Class: | III | ||
| 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: 9 | |||
| Click here to view publication 9 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.01000 | |
| beverages(nonalcoholic): | - | 0.01000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.01000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.01000 | |
| fruit ices: | - | 0.01000 | |
| gelatins / puddings: | - | 0.01000 | |
| 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
| 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):3738-00-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :107166 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran |
| Chemidplus:0003738009 |