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ambroxan
General Material Information
| Preferred name | ambroxan |
| Trivial Name | (-)-Ambrox |
| Short Description | ambrofix (Givaudan) |
| Formula | C16 H28 O |
| CAS Number | 6790-58-5 |
| Deleted CAS Number | 254762-72-6 |
| FEMA Number | 3471 |
| ECHA Number | 229-861-2 |
| FDA UNII | TD34B3O8M9 |
| Nikkaji Number | J14.107K |
| MDL | MFCD00134491 |
| COE Number | 10514 |
| xLogP3-AA | 4.70 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 6790-58-5 ; 1,5,5,9-TETRAMETHYL-13-OXATRICYCLO(8.3.0.0(4,9))TRIDECANE |
| 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
| (3aR,5aS,9aS,9bR)-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: | 6790-58-5 |
| Pubchem (cid): | 10857465 |
| Pubchem (sid): | 135264219 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB36831 |
| FooDB: | FDB015782 |
| Export Tariff Code: | 2932.99.9090 |
| 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 | 74 to 75°C @ 760 mm Hg |
| Melting Point | 73 to 74°C @ 760 mm Hg |
| Boiling Point | 120 to 121°C @ 1.4 mm Hg |
| Vapor Pressure | 0.009 mmHg @ 25 °C |
| Flash Point TCC Value | 161.11 °C TCC |
| logP (o/w) | 5.411 est |
| Shelf life | 48 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 2.436 mg/L @ 25 °C (est) | Yes |
| fractionated coconut oil | Yes |
| Stability | |
| antiperspirant spray | Good |
| candle | Good |
| liquid bleach | Good |
| ph = 10 | Good |
| ph = 2 | Good |
| powder detergent | Good |
| soap | Good |
| deo stick | Unspecified |
| detergent | Unspecified |
| hair spray | Unspecified |
| most media | Unspecified |
Organoleptic Properties
| Odor Type: Amber | |
| ambergris, sweet, labdanum, dry, woody, pine, cedar, green, seedy, tea | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | > 400 hour(s) at 10.00 % in dipropylene glycol |
| Luebke, William tgsc, (1987) | At 1.00 % in dipropylene glycol. ambergris old paper sweet labdanum dry |
| Mosciano, Gerard P&F 16, No. 6, 43, (1991) | Woody, pine, cedar-like with a green seedy and tea-like nuance |
| Flavor Type: Woody | |
| woody, fresh, pine, nutty | |
| Mosciano, Gerard P&F 16, No. 6, 43, (1991) | At 30.00 ppm in propylene glycol. Woody and fresh, with a piney and nutty nuance |
| General comment | Woody, cedar wood, floral, leather-like, slightly tobacco note and dry musk-like aftertaste |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Agate, Amber, Ambergris, Ambreine, Ambrette oil replacer, Animal, Baby powder, Balsam, Bay rum, Bayberry, Blue grass, 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, Sandalwood, Sea breeze, Spice, Spring rain, Sweet grass, Tobacco, Tonka bean, Vanilla, Woodruff, Woody |
| Flavoring purposes | Guaiacwood |
| Other purposes | Azzaro, Cool water, Dry, Fantasy blends, Tweed |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 5), H303 | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Signal word | Warning |
| Hazard statement(s) | |
| H303 - May be harmfulif swallowed | |
| Precautionary statement(s) | |
| P312 - Call a POISON CENTER or doctor/physician if you feel unwell. | |
| Oral/Parenteral Toxicity: | |
| oral-mouse LD50 > 3100 mg/kg Call a POISON CENTER or doctor/physician if you feel unwell. | |
| 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 ambroxan usage levels up to: | |||
| 1.0000 % 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: 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
| EPI System: View |
| EPA Substance Registry Services (TSCA):6790-58-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10857465 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran |
| Chemidplus:0006790585 |