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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 |