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isojasmone
General Material Information
| Preferred name | isojasmone |
| Trivial Name | 2-Hexyl-2-cyclopenten-1-one |
| Short Description | 2-hexyl-2-cyclopenten-1-one |
| Formula | C11 H18 O |
| CAS Number | 95-41-0 |
| FEMA Number | 3552 |
| ECHA Number | 202-417-5 |
| FDA UNII | VSY2Y3L5M0 |
| Nikkaji Number | J55.445F |
| Beilstein Number | 1931570 |
| COE Number | 167 |
| xLogP3-AA | 3.50 (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 | 11050-62-7 ; ISOJASMONE |
| 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): | Search |
| Export Tariff Code: | 2914.29.0000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 166.26365661621 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.589 to 7.655 |
| Refractive Index | 1.47 to 1.48 @ 20 °C |
| Boiling Point | 279 to 281°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.016 mmHg @ 25 °C |
| Vapor Density | 5.7 |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 2.849 est |
| Solubility | |
| alcohol | Yes |
| water, 43.35 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| hand cream | Good |
| deo pump spray | Good |
| detergent powder | Excellent |
| liquid bleach | Unstable |
| liquid detergent | Excellent |
| hair spray | Unspecified |
| non-discoloring in most media | Unspecified |
| cream rinse | Moderate |
| fabric softener | Moderate |
| shampoo | Moderate |
| soap | Moderate |
Organoleptic Properties
| Odor Type: Floral | |
| sweet, floral, herbal, woody, jasmin, celery, fresh, dry, waxy | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 32 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 10.00 % in dipropylene glycol. sweet floral herbal woody jasmin celery fresh dry waxy |
| Flavor Type: Green | |
| green, spicy, floral, lactonic, herbal, celery, waxy, creamy | |
| Luebke, William tgsc, (1985) | Green spicy floral lactonic herbal celery waxy creamy |
| Sweet, fruity, cream notes for a variety of flavors including coconut, peach, apricot, and mango. | Strong, lactonic, fruity, creamy with some celery notes |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Acacia , Amber , Angel essence , Apricot , Berry , Chypre , Clove , Crabapple blossom , Elder flower , Fetes , Floral , Florida breeze , Frangipani plumeria , Gardenia , Green , Honeysuckle , Jasmin , Jonquil , Lilac , Lily , Lily of the valley , Linden flower , Mint , Neroli , Orange blossom , Oriental , Peach , Pineapple , Raspberry , Rose red rose , Rose white rose , Spice , Strawberry , Sweet pea , Tuberose , Wallflower , Wisteria , Woody , Ylang ylang |
| Flavoring purposes | Tea , Tropical |
| Other purposes | Bellodgia |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 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-rat LD50 5000 mg/kg With its powerful, natural effect, Isojasmone B 11 is widely used in jasmine and floral bouquets. It brings natural volume to top and core notes. Isojasmone B 11 also blends well with quinolines in chypre accords. intravenous-mouse LD50 320 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00920 | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00920 | |
| 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 isojasmone usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.37 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (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: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.30000 | |
| beverages(nonalcoholic): | - | 1.60000 | |
| beverages(alcoholic): | - | 10.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.90000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 1.90000 | |
| 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: | - | 2.50000 | |
| 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 212: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 212 Revision 1 (FGE.212Rev1): alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19. View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 212 Revision 3 (FGE.212Rev3): a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.6 of FGE.19 View page or View pdf |
| Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):95-41-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :66768 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-hexylcyclopent-2-en-1-one |
| Chemidplus:0000095410 |