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dihydrojasmone
General Material Information
| Preferred name | dihydrojasmone |
| Trivial Name | Dihydrojasmone |
| Short Description | 3-methyl-2-(N-pentanyl)-2-cyclopenten-1-one |
| Formula | C11 H18 O |
| CAS Number | 1128-08-1 |
| Deleted CAS Number | 30966-11-1 |
| FEMA Number | 3763 |
| Flavis Number | 7.14 |
| ECHA Number | 214-434-5 |
| FDA UNII | Y953R7PP90 |
| Nikkaji Number | J12.280G |
| Beilstein Number | 1906471 |
| MDL | MFCD00036480 |
| xLogP3-AA | 2.90 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1406 3-methyl-2-(N-pentanyl)-2-cyclopenten-1-one |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1128-08-1 ; 2-PENTYL-3-METHYL-2-CYCLOPENTEN-1-ONE |
| 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
| 3-methyl-2-pentylcyclopent-2-en-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1128-08-1 |
| Pubchem (cid): | 62378 |
| Pubchem (sid): | 135020452 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB31565 |
| FooDB: | FDB008180 |
| Export Tariff Code: | 2914.29.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 166.26365661621 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.58 to 7.63 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.598 to 7.639 |
| Refractive Index | 1.676 to 1.682 @ 20 °C |
| Boiling Point | 120 to 121°C @ 12 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.01 mmHg @ 20 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 2.754 est |
| Solubility | |
| alcohol | Yes |
| water, very slightly | Yes |
| water, 38.82 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic fine fragrance | Good |
| antiperspirant | Good |
| fabric softener | Good |
| liquid detergent | Good |
| perborate powder detergent | Good |
| soap | Good |
| toiletry application | Good |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| fresh outdoors, jasmin, myrrh, woody, spicy, herbal, fruity, sweet, floral, powdery | |
| Odor strength | medium |
| Substantivity | 340 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 100.00 %. fresh outdoor jasmin myrrh woody spice herbal |
| Mosciano, Gerard P&F 18, No. 3, 53, (1993) | Fruity, sweet, floral, woody with a powdery nuance |
| Flavor Type: Floral | |
| sweet, floral, green, herbal, citrus | |
| Mosciano, Gerard P&F 18, No. 3, 53, (1993) | At 10.00 ppm. Sweet, floral, green, herbal with a citrus nuance |
| Cream notes for dairy flavors, lactone notes for peach, apricot, mango, and other fruit flavors. | Creamy mouthfeel, lactonic |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apricot , Bergamot , Celery , Chypre , Citrus , Coconut , Fern , Floral , Fresh outdoors , Green , Herbal , Honey , Jasmin , Lavender , Lily of the valley , Maple , Oriental , Peach , Spice , Woody |
| Flavoring purposes | Fruit tropical fruit , Tropical |
| Other purposes | Modifier , Natural , Seedy , Waxy |
| 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. 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 2500 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 523, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 523, 1974. | |
| 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 dihydrojasmone usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.34 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (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): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 85.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | 13.00000 | |
| gelatins / puddings: | - | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 13.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 13.00000 | |
| meat products: | - | - | |
| milk products: | - | 10.00000 | |
| 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 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 |
| Safety and efficacy of secondary alicyclic saturated and unsaturated alcohols, ketones, ketals and esters with ketals containing alicyclic alcohols or ketones and esters containing secondary alicyclic alcohols from chemical group 8 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1128-08-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62378 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-methyl-2-pentylcyclopent-2-en-1-one |
| Chemidplus:0001128081 |
| RTECS:GY7302000 for cas# 1128-08-1 |