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methyl dihydrojasmonate
General Material Information
| Preferred name | methyl dihydrojasmonate |
| Trivial Name | Hedione |
| Short Description | hedione (Firmenich) |
| Formula | C13 H22 O3 |
| CAS Number | 24851-98-7 |
| Deleted CAS Number | 128087-96-7 |
| FEMA Number | 3408 |
| ECHA Number | 246-495-9 |
| FDA UNII | 3GW44CIE3Y |
| Nikkaji Number | J87.287C |
| MDL | MFCD00151188 |
| COE Number | 10785 |
| xLogP3-AA | 2.70 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1898 methyl dihydrojasmonate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 24851-98-7 ; METHYL DIHYDROJASMONATE |
| 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
| methyl 3-oxo-2-pentylcyclopentaneacetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 24851-98-7 |
| Pubchem (cid): | 102861 |
| Pubchem (sid): | 135263695 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31740 |
| FooDB: | FDB008409 |
| Export Tariff Code: | 2918.30.9000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Methyl dihydrojasmonate |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 226.31593322754 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.296 to 8.371 |
| Refractive Index | 1.458 to 1.462 @ 20 °C |
| Boiling Point | 109 to 112°C @ 0.2 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 113 °C TCC |
| logP (o/w) | 2.653 est |
| Shelf life | 36 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| isopropyl myristate | Yes |
| paraffin oil | Yes |
| propylene glycol | Yes |
| water, very slightly | Yes |
| water, 91.72 mg/L @ 25 °C (est) | Yes |
| Stability | |
| fine fragrances: 0.5% - and up | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| deodorant spray | Unspecified |
| detergent: 0.5 - 5% | Unspecified |
| hair spray | Unspecified |
| hard surface cleaner | Unspecified |
| liquid detergent | Unspecified |
| permanent wave lotion | Unspecified |
| shampoo: 0.5% - and up | Unspecified |
| soap: 0.5 - 10% | Unspecified |
| APC: 0.5% - and up | Unspecified |
| candle: 0.5 - 5% | Unspecified |
| shower gel: 0.5% - and up | Unspecified |
| softener: 0.5 - 10% | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| floral, oily, jasmin, green, lactonic, tropical, natural, sweet, fruity, citrus, lemon, grapefruit, woody | |
| Odor strength | medium |
| Substantivity | 72 hour(s) at 100.00 % |
| Luebke, William tgsc, (1996) | At 100.00 %. floral oily jasmin green lactonic tropical natural |
| Mosciano, Gerard P&F 20, No. 3, 63, (1995) | Sweet, fruity, floral, citrus lemon and grapefruit-like with woody jasmine and green nuances |
| Flavor Type: Floral | |
| sweet, floral, citrus, fruity, berry, tutti frutti | |
| Mosciano, Gerard P&F 20, No. 3, 63, (1995) | At 20.00 ppm. Sweet, floral, citrus, fruity and berry with tutti-frutti undernotes |
| Used in peach and apricot flavors. | Fruity |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Angel essence, Apricot, Blackberry, Botanical, Bouquet, Carnation, Cedar, Cherry blossom, Chypre, Citrus, Clean linen, Coconut tropical coconut, Coriander, Crabapple blossom, Fig, Floral, Florida breeze, Freesia, Gardenia, Grapefruit, Green, Green leaf, Hyacinth, Jasmin, Jonquil, Lemon, Lilac, Lily, Lily of the valley, Lotus, Magnolia, Mint, Narcissus, Neroli, Orange blossom, Oriental, Papaya, Peach, Peony, Potpourri, Rain, Raspberry, Raspberry black raspberry, Rose, Rose white rose, Sea breeze, Spice, Strawberry, Sweet grass, Sweet pea, Tuberose, Violet, Woody, Ylang ylang |
| Flavoring purposes | Coriander |
| Other purposes | Amazone, Anais anais, Chamade, Chanel #19, Diorella, Diorissimo, Eau sauvage, First, Freshener, Natural, Silences |
| Cosmetic purposes | Fragrance |
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) | |
| Acute toxicity, Oral (Category 4), H302 Acute aquatic toxicity (Category 2), H401 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H401 - Toxic to aquatic life | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P273 - Avoid release to the environment. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 2000 mg/kg (Flavour Industry, 2006c ) oral-rat LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 85S, 1992. | |
| Dermal Toxicity: | |
| skin-rabbit LDLo 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 85S, 1992. | |
| 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 methyl dihydrojasmonate usage levels up to: | |||
| 30.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 770.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 7 | |||
| Click here to view publication 7 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 1.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 1.00000 | |
| 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: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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 9, Revision 1: (FGE.09 Rev1)[1] - Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical groups 8 and 30, and an ester of a phenol carboxylic acid from chemical group 25 - 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 9, Revision 2 (FGE.09Rev2): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 9, Revision 3 (FGE.09Rev3): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 9, Revision 4 (FGE.09Rev4): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 9, Revision 5 (FGE.09Rev5): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 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):24851-98-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :102861 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| methyl 3-oxo-2-pentylcyclopentaneacetate |
| Chemidplus:0024851987 |
| RTECS:GY2453800 for cas# 24851-98-7 |