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isobornyl isovalerate
General Material Information
| Preferred name | isobornyl isovalerate |
| Trivial Name | Isobornyl isovalerate |
| Short Description | DL-isobornyl isovalerate |
| Formula | C15 H26 O2 |
| CAS Number | 7779-73-9 |
| Deleted CAS Number | 116963-99-6 |
| FEMA Number | 2166 |
| Flavis Number | 9.457 |
| ECHA Number | 231-935-4 |
| FDA UNII | X58D56297G |
| Nikkaji Number | J74.696G |
| COE Number | 452 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1394 isobornyl isovalerate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 7779-73-9 ; ISOBORNYL ISOVALERATE |
| 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): | HMDB38250 |
| FooDB: | FDB017543 |
| Export Tariff Code: | 2916.20.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 238.37062072754 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.847 to 7.947 |
| Refractive Index | 1.458 to 1.464 @ 20 °C |
| Boiling Point | 151 to 152°C @ 26 mm Hg |
| Boiling Point | 266 to 269°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.12 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 4.889 est |
| Solubility | |
| alcohol | Yes |
| water, 0.8885 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Woody | |
| woody, dry, valerian root, pine, camphoreous, oily, balsamic, forest, cooling, green | |
| Odor strength | medium |
| Substantivity | > 168 hour(s) at 100.00 % |
| Luebke, William tgsc, (2021) | At 100.00 %. woody dry valerian root pine camphoreous oily balsamic forest |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | Woody, mild, cooling and borneol-like with oily and green nuances |
| Flavor Type: Woody | |
| woody, dry, oily, balsamic, camphoreous, pine, woody oak wood, spruce, green | |
| General comment | Woody dry oily balsamic camphoreous pine oak wood spruce |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | Woody, camphoreous and borneol-like with green nuances |
| Used mostly for oral hygiene products such as mouthwash and toothpaste flavors. | Minty |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Berry, Fir needle oil replacer, Herbal, Lavender, Pineapple, Raspberry, Valerian, Violet leaf |
| Flavoring purposes | Valerian |
| Other purposes | Disinfectants |
| 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) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Human Experience: | |
| 4% produced no irritation or sensitization. | |
| 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 isobornyl isovalerate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.08 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.80000 | 2.00000 | |
| beverages(nonalcoholic): | 0.60000 | 11.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.30000 | 1.00000 | |
| fruit ices: | 0.30000 | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.90000 | |
| 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
| 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 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - 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 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 87 Revision 1 (FGE.87Rev1): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):7779-73-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :60968 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| [(1S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate |
| Chemidplus:0007779739 |