Articles:
| None found yet. Try the PubMed Search. |
Notes:
None found
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): METHYL IONONE SOAP
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| CAS Number: | 127-42-4 |  3D/inchi
|
| Other(deleted CASRN): | 1322-70-9 | |
| % from: | 44.00% to 50.00% | |
| ECHA EINECS - REACH Pre-Reg: | 204-842-1 | |
| FDA UNII: | Search | |
| CoE Number: | 143 | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 194.31754000 | |
| Formula: | C13 H22 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| Also(can) Contains: | (E)-beta-methyl ionone 14.00% to 20.00% | |
| alpha-isomethyl ionone (90% min.) 15.00% to 20.00% | ||
| beta-isomethyl ionone 0.10% to 5.00% | ||
| pseudomethyl ionone 0.10% to 2.00% | ||
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: | 398 methyl-alpha-ionone (44-50%) |
| FEMA Number: | 2711 methyl-alpha-ionone (44-50%) |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 127-42-4 ; METHYL-ALPHA-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: | colorless to yellow clear liquid (est) |
| Assay: | 50.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 238.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 97.00 °C. @ 2.60 mm Hg |
| Vapor Pressure: | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 212.00 °F. TCC ( 100.00 °C. ) |
| logP (o/w): | 4.393 (est) |
| Soluble in: | |
| alcohol | |
| water, 3.328 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: powdery | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity: | 124 hour(s) at 100.00 % |
| floral woody orris violet | |
| Odor Description: at 10.00 % in dipropylene glycol. | floral woody orris violet Luebke, William tgsc, (1984) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Lluch Essence |
| METHYL IONONE SOAP |
| Parchem |
| (E)-alpha-methyl ionone (44-50%) |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 38 - Irritating to skin. 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: | |
| 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. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0160 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0004 mg/kg/day (IFRA, 2001) | |||
| 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: | - | 6.50000 | |
| beverages(nonalcoholic): | - | 1.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 0.60000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.40000 | |
| fruit ices: | - | 2.40000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 6.60000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.21000 | |
| 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 Authority (EFSA) reference(s): | |
| Flavouring Group Evaluation 213: alpha,beta-Unsaturated alicyclic ketones and precursors from chemical subgroup 2.7 of FGE.19 View page or View pdf | |
| 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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 127-42-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5371084 |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| WGK Germany: | 2 |
| (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (44-50%) | |
| Chemidplus: | 0000127424 |
References:
| (E)-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (44-50%) | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 127-42-4 |
| Pubchem (cid): | 5371084 |
| Pubchem (sid): | 135016867 |
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): | HMDB35245 |
| Export Tariff Code: | 2914.23.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| berry jam | FR | |
| cassia | FR | |
| chypre | FR | |
| floral | FR | |
| grape | FR | |
| narcissus | FR | |
| oriental | FR | |
| orris | FR | |
| raspberry | FR | |
| rose | FR | |
| tea | FL | |
| violet | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (E)-1-(2,6,6- | trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one (44-50%) |