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methyl-delta-ionone
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): delta-Methyl Ionone
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| Fragrance Demo Formulas | ||
| CAS Number: | 7784-98-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 232-074-7 | |
| FDA UNII: | 11E70LY0Z5 | |
| CoE Number: | 11852 | |
| XlogP3-AA: | 3.60 (est) | |
| Molecular Weight: | 206.32854000 | |
| Formula: | C14 H22 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 400 methyl-delta-ionone |
| DG SANTE Food Flavourings: | 07.088 methyl-delta-ionone |
| FEMA Number: | 2713 methyl-delta-ionone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 7784-98-7 ; METHYL-DELTA-IONONE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | pale yellow to yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93100 to 0.93800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.747 to 7.805 |
| Refractive Index: | 1.49300 to 1.49900 @ 20.00 °C. |
| Boiling Point: | 93.00 °C. @ 3.10 mm Hg |
| Boiling Point: | 232.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 252.00 °F. TCC ( 122.20 °C. ) (est) |
| logP (o/w): | 4.499 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.295 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: woody | |
| musk patchouli oakmoss | |
| Odor Description: at 100.00 %. | musk patchouli oakmoss |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| R C Treatt & Co Ltd |
| delta-Methyl Ionone |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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: | |
| 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 | |||
| IFRA Critical Effect: | Dermal sensitization | ||
| IFRA Other Specification: | <= 2% Pseudomethylionone | ||
| IFRA: | View Standard | ||
| View IFRA Standards Library for complete information. | |||
| Please review Amendment 49 IFRA documentation for complete information. | |||
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
| Category 1: Products applied to the lips | |||
| 5.40 % | |||
| Category 2: Products applied to the axillae | |||
| 1.60 % | |||
| Category 3: Products applied to the face/body using fingertips | |||
| 32.00 % | |||
| Category 4: Products related to fine fragrance | |||
| 30.00 % | |||
| Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
| Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
| 7.60 % | |||
| Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
| 7.60 % | |||
| Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
| 7.60 % | |||
| Category 5D: Baby Creams, baby Oils and baby talc | |||
| 7.60 % | |||
| Category 6: Products with oral and lip exposure | |||
| 18.00 % | |||
| Category 7: Products applied to the hair with some hand contact | |||
| Category 7A: Rinse-off products applied to the hair with some hand contact | |||
| 61.00 % | |||
| Category 7B: Leave-on products applied to the hair with some hand contact | |||
| 61.00 % | |||
| Category 8: Products with significant anogenital exposure | |||
| 3.20 % | |||
| Category 9: Products with body and hand exposure, primarily rinse off | |||
| 59.00 % | |||
| Category 10: Household care products with mostly hand contact | |||
| Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
| 100.00 % | |||
| Category 10B: Household aerosol/spray products | |||
| 100.00 % | |||
| Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
| Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
| 100.00 % | |||
| Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
| 100.00 % | |||
| Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
| No Restriction | |||
| Notes: | |||
| IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.37 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/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: | - | 2.80000 | |
| beverages(nonalcoholic): | - | 0.61000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.89000 | |
| fruit ices: | - | 0.89000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 3.20000 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| 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 210: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19[1] View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 210 Revision 2 (FGE.210Rev2): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 210 Revision 3 (FGE.210Rev3): Consideration of genotoxic potential for a,ß-unsaturated alicyclic ketones and precursors from chemical subgroup 2.4 of FGE.19 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 7784-98-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5463913 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)pent-1-en-3-one | |
| Chemidplus: | 0007784987 |
References:
| (E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)pent-1-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7784-98-7 |
| Pubchem (cid): | 5463913 |
| Pubchem (sid): | 135263080 |
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): | HMDB32397 |
| FooDB: | FDB009825 |
| Export Tariff Code: | 2914.23.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| moss | FR | |
| musk | FR | |
| orris | FR | |
| patchouli | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| methyl delta-ionone | |
| methyl-delta-ionone | |
| 1- | penten-3-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)- |
| (E)-1-(2,6,6- | trimethyl-1-cyclohex-3-enyl)pent-1-en-3-one |
| 5-2,6,6- | trimethyl-3-cyclohexen-1-yl-4-penten-3-one |
| 1-(2,6,6- | trimethyl-3-cyclohexen-1-yl) pent-1-en-3-one |
| 1-(2,6,6- | trimethyl-3-cyclohexen-1-yl)-1-penten-3-one |
| 5-(2,6,6- | trimethyl-3-cyclohexen-1-yl)-4-penten-3-one |
| 1-(2,6,6- | trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one |