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thiogeraniol
General Material Information
| Preferred name | thiogeraniol |
| Trivial Name | Thiogeraniol |
| Short Description | (E)-3,7-dimethyl-2,6-octadien-1-thiol |
| Formula | C10 H18 S |
| CAS Number | 39067-80-6 |
| FEMA Number | 3472 |
| Flavis Number | 12.064 |
| ECHA Number | 254-269-6 |
| FDA UNII | Y6E61O3D5Y |
| Nikkaji Number | J61.292H |
| MDL | MFCD00209533 |
| COE Number | 11583 |
| xLogP3-AA | 3.90 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 524 thiogeraniol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 39067-80-6 ; THIOGERANIOL |
| 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 |
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 |
| KEGG (GenomeNet): | C22269 |
| HMDB (The Human Metabolome Database): | HMDB36106 |
| FooDB: | FDB014950 |
| Export Tariff Code: | 2930.90.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Thiogeraniol |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 170.31846618652 |
| Vapor Pressure | 0.047 mmHg @ 25 °C |
| Flash Point TCC Value | 52.78 °C TCC |
| logP (o/w) | 4.617 est |
| Solubility | |
| alcohol | Yes |
| water, 4.179 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, sulfurous, fruity, berry, rhubarb, citrus, minty, catty | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 197 hour(s) at 1.00 % in dipropylene glycol |
| Luebke, William tgsc, (2021) | At 1.00 % in dipropylene glycol. green sulfurous fruity berry rhubarb citrus minty catty |
| Mosciano, Gerard P&F 15, No. 1, 19, (1990) | Green, fruity berry with minty sulfur catty nuances |
| Flavor Type: Green | |
| green, fruity, berry, citrus, waxy, floral, tropical, minty | |
| Luebke, William tgsc, (2021) | Green fruity berry citrus waxy floral tropical |
| Mosciano, Gerard P&F 15, No. 1, 19, (1990) | At 0.50 ppm. Minty fruity, with green citrus fruity nuances |
Potential Uses
| Applications | |
| Odor purposes | Berry , Currant black currant , Green , Mint , Passion fruit , Raspberry |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves 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 thiogeraniol usage levels up to: | |||
| 0.0100 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.10 (μg/capita/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: 9 | |||
| Click here to view publication 9 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.03000 | |
| beverages(nonalcoholic): | - | 0.00200 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.01000 | |
| confectionery froastings: | - | 0.02000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.01000 | |
| fruit ices: | - | 0.01000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.02000 | |
| 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 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):39067-80-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6365572 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| (2E)-3,7-dimethylocta-2,6-diene-1-thiol |
| Chemidplus:0039067806 |