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alpha-farnesene
General Material Information
| Preferred name | alpha-farnesene |
| Trivial Name | Farnesene |
| Short Description | (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene |
| Formula | C15 H24 |
| CAS Number | 502-61-4 |
| Deleted CAS Number | 21499-64-9 |
| FEMA Number | 3839 |
| Flavis Number | 1.04 |
| ECHA Number | 207-948-6 |
| FDA UNII | 7E1785CZ0H |
| Nikkaji Number | J47.112G |
| MDL | MFCD00036650 |
| COE Number | 10998 |
| xLogP3-AA | 6.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1343 alpha-farnesene |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 502-61-4 ; FARNESENE |
| 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
| (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 502-61-4 |
| Pubchem (cid): | 5281516 |
| Pubchem (sid): | 134978777 |
| Flavornet: | 502-61-4 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C09665 |
| HMDB (The Human Metabolome Database): | HMDB36066 |
| FooDB: | FDB014895 |
| Export Tariff Code: | 2901.29.6000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| Bedoukian Research | BOC Sciences |
| M&U International | Pell Wall Perfumes |
| Penta International | Santa Cruz Biotechnology |
| Synerzine | M&U International LLC |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 204.35627746582 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.023 to 7.314 |
| Refractive Index | 1.49 to 1.505 @ 20 °C |
| Boiling Point | 260 to 262°C @ 760 mm Hg |
| Vapor Pressure | 0.01 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 6.139 est |
| Solubility | |
| alcohol | Yes |
| water, 0.01053 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Woody | |
| citrus, herbal, lavender, bergamot, myrrh, neroli, green, woody, vegetable, floral | |
| Luebke, William tgsc, (1996) | At 100.00 %. citrus herbal lavender bergamot myrrh neroli green |
| Mosciano, Gerard P&F 25, No. 1, 49, (2000) | At 1.00 % in ethyl alcohol. Woody, green vegetative with a hint of a floral nuance. It has a slight gin herbal and citrus dry out |
| Flavor Type: Green | |
| fresh, green, vegetable, celery, hay, fatty, tropical, fruity | |
| Mosciano, Gerard P&F 25, No. 1, 49, (2000) | At 10.00 - 20.00 ppm. Fresh green vegetative, with celery and hay nuances and somewhat fatty and tropical fruity afternotes |
| Excellent for terpene notes of gin, carrot, mango, lime, herbal notes of celery, parsley. | Terpeny, herbal, slight celery notes |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Bergamot , Berry , Citrus , Gardenia , Green , Herbal , Juniper berry , Lavender , Melon , Myrrh , Neroli , Raspberry , Woody |
| Flavoring purposes | Gin , Tea , Tropical |
| Cosmetic purposes | Fragrance , 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. 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 alpha-farnesene usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.61 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 40.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 50.00000 | |
| beverages(nonalcoholic): | 5.00000 | 20.00000 | |
| beverages(alcoholic): | 5.00000 | 20.00000 | |
| breakfast cereal: | 10.00000 | 50.00000 | |
| cheese: | 2.00000 | 10.00000 | |
| chewing gum: | 30.00000 | 90.00000 | |
| condiments / relishes: | 5.00000 | 15.00000 | |
| confectionery froastings: | 20.00000 | 60.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 30.00000 | |
| fish products: | 1.00000 | 5.00000 | |
| frozen dairy: | 5.00000 | 40.00000 | |
| fruit ices: | 5.00000 | 20.00000 | |
| gelatins / puddings: | 2.00000 | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | 5.00000 | 20.00000 | |
| hard candy: | 10.00000 | 50.00000 | |
| imitation dairy: | 1.00000 | 5.00000 | |
| instant coffee / tea: | 5.00000 | 20.00000 | |
| jams / jellies: | 2.00000 | 10.00000 | |
| meat products: | 1.00000 | 5.00000 | |
| milk products: | 10.00000 | 30.00000 | |
| nut products: | 5.00000 | 20.00000 | |
| other grains: | 10.00000 | 50.00000 | |
| poultry: | 1.00000 | 5.00000 | |
| processed fruits: | 5.00000 | 30.00000 | |
| processed vegetables: | 2.00000 | 10.00000 | |
| reconstituted vegetables: | 5.00000 | 20.00000 | |
| seasonings / flavors: | 10.00000 | 50.00000 | |
| snack foods: | 5.00000 | 20.00000 | |
| soft candy: | 10.00000 | 30.00000 | |
| soups: | 5.00000 | 20.00000 | |
| sugar substitutes: | 1.00000 | 10.00000 | |
| sweet sauces: | 2.00000 | 10.00000 | |
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 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31 View page or View pdf |
| Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):502-61-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5281516 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene |
| Chemidplus:0000502614 |