Articles:
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-butanone
Notes:
Gives depth to fragrances. Flavouring ingredient for artificial fruit flavours. Present in peaches, raspberry, Rubus hybrid fruits, Chinese scented green tea and alfalfa extract
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Bedoukian Research, Inc. Perfecting the Art of Chemistry Working closely with our customers to meet their requirements. Dr. Paul Bedoukian founded the company in 1972 to fill a niche as a supplier of high quality specialty aroma molecules. Today, we offer more than 350 high impact aroma chemicals, while providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries. US Email: Customer Service US Email: Customer Service US Voice: 1-203-830-4000 US Fax: 1-203-830-4010 Instagram Linkedin Recent News Products List: View Product(s): 468 DIHYDRO ALPHA IONONE ≥92.0% (sum of isomers), Kosher SDS Its powerful, violet, woody, and fruity notes blend and modify floral and oriental types.
Berry type flavors, especially blackberry and raspberry.
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 31499-72-6 DIHYDRO-ALPHA-IONONE
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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): DIHYDRO ALPHA IONONE 75% DIHYDRO ALPHA IONONE 95%
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Moellhausen S.P.A. THE CHEMISTRY OF EMOTIONS Innovation and commitment in the name of excellence. After 50 years in business, Moellhausen stands out as one of the world’s leading family-run companies in the industry of flavors and fragrances, raw materials, and specialties. Voice: +39 039.685.6262 Fax: +39 039.685.6263 Facebook Twitter Linkedin Youtube A network of knowledge to grow together Sustainability is at the foundation of a Pervasive technology and total control Product(s): 108110 ALPHA-DIHYDROIONONE
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 04-19450 DIHYDRO ALPHA IONONE
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| CAS Number: | 31499-72-6 |  3D/inchi
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| Other(deleted CASRN): | 49749-39-5 | |
| ECHA EINECS - REACH Pre-Reg: | 250-657-4 | |
| FDA UNII: | 20P9Z50AR5 | |
| Nikkaji Web: | J55.488J | |
| Beilstein Number: | 2088879 | |
| MDL: | MFCD00036599 | |
| CoE Number: | 11059 | |
| XlogP3-AA: | 2.80 (est) | |
| Molecular Weight: | 194.31754000 | |
| Formula: | C13 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: | 393 dihydro-alpha-ionone |
| DG SANTE Food Flavourings: | 07.132 dihydro-alpha-ionone |
| FEMA Number: | 3628 dihydro-alpha-ionone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 31499-72-6 ; DIHYDRO-ALPHA-IONONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 92.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91800 to 0.92300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.639 to 7.680 |
| Refractive Index: | 1.47300 to 1.48000 @ 20.00 °C. |
| Boiling Point: | 90.00 °C. @ 0.10 mm Hg |
| Vapor Pressure: | 0.023000 mmHg @ 25.00 °C. |
| Flash Point: | 228.00 °F. TCC ( 108.89 °C. ) |
| logP (o/w): | 4.064 (est) |
| Soluble in: | |
| alcohol | |
| water, 11.64 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity: | > 29 hour(s) at 100.00 % |
| woody floral berry orris powdery violet raspberry fruity | |
| Odor Description: at 10.00 % in dipropylene glycol. | woody floral berry orris powdery violet raspberry fruity Luebke, William tgsc, (2021) |
| woody floral berry fruity orris powdery | |
| Odor Description: at 10.00 % in ethyl alcohol. | Woody, floral, berry, fruity with orris powdery undernotes Mosciano, Gerard P&F 17, No. 6, 41, (1992) |
| Flavor Type: berry | |
| creamy berry floral woody orris earthy violet powdery tropical | |
| Taste Description: | creamy berry floral woody orris earthy violet powdery tropical Luebke, William tgsc, (2021) |
| berry floral woody seedy fruity | |
| Taste Description: at 2.00 ppm. | Berry, floral, woody, seedy with fruity undernotes Mosciano, Gerard P&F 17, No. 6, 41, (1992) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| DIHYDRO ALPHA IONONE ≥92.0% (sum of isomers), Kosher | |
| Odor Description: | A powerful, floral (violet) character with raspberry nuances Its powerful, violet, woody, and fruity notes blend and modify floral and oriental types. |
| Taste Description: | Typical ionone, floral, berry Berry type flavors, especially blackberry and raspberry. |
| Moellhausen | |
| ALPHA-DIHYDROIONONE | |
| Odor Description: | woody, slightly fruity. |
| Taste Description: | berry, floral, woody, seedy with fruity undertones. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| DIHYDRO ALPHA IONONE
≥92.0% (sum of isomers), Kosher Odor: A powerful, floral (violet) character with raspberry nuances Use: Its powerful, violet, woody, and fruity notes blend and modify floral and oriental types. Flavor: Typical ionone, floral, berry Berry type flavors, especially blackberry and raspberry. |
| BOC Sciences |
| For experimental / research use only. |
| DIHYDRO-ALPHA-IONONE |
| Lluch Essence |
| DIHYDRO ALPHA IONONE 75%
Odor: FRUITY, WOODY |
| Lluch Essence |
| DIHYDRO ALPHA IONONE 95% |
| Moellhausen |
| ALPHA-DIHYDROIONONE
Odor: woody, slightly fruity. Flavor: berry, floral, woody, seedy with fruity undertones. |
| Penta International |
| DIHYDRO ALPHA IONONE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 7,8-Dihydro-a-ionone ≥90% |
| Sigma-Aldrich |
| For experimental / research use only. |
| 7,8-Dihydro-a-ionone technical, ≥90% (sum of isomers, GC) |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
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R 38 - Irritating to skin. R 42/43 - May cause sensitization by inhalation and skin contact. S 02 - Keep out of the reach of children. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 | |||
| maximum skin levels for fine fragrances: | |||
| 0.0200 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey). (IFRA, 2002) | |||
| Recommendation for dihydro-alpha-ionone usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0200 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0005 mg/kg/day (IFRA, 2002) | |||
| 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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.50000 | |
| beverages(nonalcoholic): | - | 0.50000 | |
| beverages(alcoholic): | - | 0.50000 | |
| breakfast cereal: | - | 1.00000 | |
| cheese: | - | - | |
| chewing gum: | - | 2.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | 0.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 0.30000 | |
| meat products: | - | - | |
| milk products: | - | 0.50000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | 0.05000 | |
| snack foods: | - | - | |
| soft candy: | - | 1.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | 0.30000 | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 31499-72-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 35821 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one | |
| Chemidplus: | 0031499726 |
| RTECS: | EM0535000 for cas# 31499-72-6 |
References:
| Leffingwell: | Chirality or Article |
| 4-(2,6,6-trimethyl-1-cyclohex-2-enyl)butan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 31499-72-6 |
| Pubchem (cid): | 35821 |
| Pubchem (sid): | 134998812 |
| 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): | HMDB38026 |
| Export Tariff Code: | 2914.23.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| apple | FR | |
| beeswax absolute replacer | FR | |
| berry | FR | |
| blueberry | FR | |
| cassia | FR | |
| charlie | ||
| chypre | FR | |
| cranberry | FR | |
| currant | FR | |
| cyclamen | FR | |
| depth | ||
| diffusion | ||
| fir needle oil replacer | FR | |
| floral | FR | |
| fruit | FR | |
| genet | FR | |
| grape | FR | |
| herbal | FR | |
| leather | FR | |
| leather russian leather | FR | |
| mimosa | FR | |
| moss | FR | |
| musk | FR | |
| oriental | FR | |
| orris | FR | |
| patchouli | FR | |
| prune | FR | |
| raspberry | FR | |
| rose | FR | |
| rounding off | ||
| strawberry | FR | |
| violet | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| alfalfa Search Trop Picture | |
| champaca concrete @ 0.01% Data GC Search Trop Picture | |
| peach fruit Search Trop Picture | |
| raspberry red raspberry fruit Search Trop Picture | |
| tea green tea Search Trop Picture | |
| viola odorata flower absolute Data GC Search Trop Picture |
Synonyms:
| 2- | butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| dihydro alpha ionone | |
| dihydro alpha-ionone | |
| dihydro-a-ionone | |
| 3,4- | dihydro-a-ionone |
| 7,8- | dihydro-a-ionone |
| 3,4- | dihydro-alpha-ionone |
| 7,8- | dihydro-alpha-ionone |
| alpha- | dihydroionone |
| raspberry ionone | |
| 4-(2,6,6- | trimethyl-1-cyclohex-2-enyl)butan-2-one |
| 4-2,6,6- | trimethyl-2-cyclohexen-1-yl butan-2-one |
| 4-(2,6,6- | trimethyl-2-cyclohexen-1-yl)-2-butanone |
| 4-(2,6,6- | trimethyl-2-cyclohexen-1-yl)butan-2-one |
| 4-(2,2,6- | trimethyl-5-cyclohexen-1-yl)-2-butanone |
| 4-(2,6,6- | trimethylcyclohex-2-en-1-yl)butan-2-one |