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dehydroxylinalool oxide
General Material Information
| Preferred name | dehydroxylinalool oxide |
| Trivial Name | Herboxide |
| Short Description | 5-isopropenyl-2-methyl-2-vinyltetrahydrofuran |
| Formula | C10 H16 O |
| CAS Number | 13679-86-2 |
| FEMA Number | 3759 |
| Flavis Number | 13.097 |
| ECHA Number | 237-184-9 |
| FDA UNII | F2S8JZM40P |
| Nikkaji Number | J277.988I |
| MDL | MFCD00065422 |
| COE Number | 11944 |
| xLogP3-AA | 2.70 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1455 5-isopropenyl-2-methyl-2-vinyltetrahydrofuran |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 13679-86-2 ; 5-ISOPROPENYL-2-METHYL-2-VINYLTETRAHYDROFURAN |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB37172 |
| FooDB: | FDB016168 |
| Export Tariff Code: | 2932.19.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | 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
| BOC Sciences | Penta International |
| Santa Cruz Biotechnology | Sigma-Aldrich: Aldrich |
| TCI AMERICA | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 152.23672485352 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.273 to 7.306 |
| Refractive Index | 1.449 to 1.454 @ 20 °C |
| Boiling Point | 167 to 168°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 13.4 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 46.11 °C TCC |
| logP (o/w) | 2.929 est |
| Solubility | |
| alcohol | Yes |
| water, 78.78 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| green, minty, spicy, herbal, rosemary, phenolic, cooling, terpenic | |
| Odor strength | medium |
| Substantivity | > 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 100.00 %. green minty spice herbal rosemary phenolic |
| Mosciano, Gerard P&F 15, No. 6, 35, (1990) | Green, cooling spice, herbaceous, with a terpy and minty nuance |
| Flavor Type: Woody | |
| woody, pine, spicy, minty, green, citrus | |
| Mosciano, Gerard P&F 15, No. 6, 35, (1990) | Woody, piney, spicy, minty with a green citrus nuance |
| Lemon/lime type flavor and can also add citrus notes to a variety of flavors including peach and mango. | Lemon/lime character similar to lemon/lime carbonated soft drink, with green bean aftertaste |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic , Berry , Berry , Blueberry , Citrus , Eucalyptus oil replacer , Grape , Green , Herbal , Lime , Mango , Mint , Pepper , Pine , Spice , Woody |
| Flavoring purposes | Tea , Tropical |
| Other purposes | Topnotes |
| Cosmetic purposes | Perfuming agents |
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 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: | |
| oral-mouse LD50 1000 - 2000 mg/kg (Bonetti, 1983) | |
| 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 dehydroxylinalool oxide usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.90 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.03 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 15 | |||
| Click here to view publication 15 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 0.02000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.09000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.10000 | |
| fruit ices: | - | 0.12000 | |
| gelatins / puddings: | - | 0.10000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.12000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.12000 | |
| meat products: | - | - | |
| milk products: | - | 0.10000 | |
| 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 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 |
| Flavouring Group Evaluation 75 (FGE.75)[1] - Consideration of tetrahydrofuran derivatives and a furanone derivative evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008) 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 75, Revision 1 (FGE.75Rev1): Consideration of tetrahydrofuran derivatives evaluated by JECFA (63rd meeting) structurally related to tetrahydrofuran derivatives evaluated by EFSA in FGE.33 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):13679-86-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61665 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:1 |
| 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane |
| Chemidplus:0013679862 |