Articles:
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1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-1-penten-3-one
Notes:
None found
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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): 470B DIMETHYL IONONE More floral than gamma-methyl ionone. Diffusive orris character is less woody. Excellent performer in all product types.
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| CAS Number: | 72117-72-7 |  3D/inchi
|
| Nikkaji Web: | J69.505J | |
| Beilstein Number: | 2616019 | |
| XlogP3-AA: | 3.80 (est) | |
| Molecular Weight: | 220.35548000 | |
| Formula: | C15 H24 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: 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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 302.00 to 303.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 269.00 °F. TCC ( 131.67 °C. ) |
| logP (o/w): | 4.588 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| water, 0.9577 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: | 96 hour(s) at 100.00 % |
| floral violet sweet powdery woody | |
| Odor Description: at 10.00 % in dipropylene glycol. | floral violet sweet powdery woody Luebke, William tgsc, (1987) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| DIMETHYL IONONE | |
| Odor Description: | powdery, woody, wonderful orris-violet More floral than gamma-methyl ionone. Diffusive orris character is less woody. Excellent performer in all product types. |
Cosmetic Information:
| None found |
Suppliers:
| Bedoukian Research |
| DIMETHYL IONONE
Odor: powdery, woody, wonderful orris-violet Use: More floral than gamma-methyl ionone. Diffusive orris character is less woody. Excellent performer in all product types. |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Other Specification: | <= 2% Pseudomethylionone | ||
| Recommendation for dimethyl alpha-ionone usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for dimethyl alpha-ionone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 72117-72-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6441344 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one | |
| Chemidplus: | 0072117727 |
References:
| (E)-2-methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 72117-72-7 |
| Pubchem (cid): | 6441344 |
| Pubchem (sid): | 135122210 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| autumn | FR | |
| banana | FR | |
| blueberry | FR | |
| bouquet | FR | |
| boxwood | FR | |
| boysenberry | FR | |
| butterscotch | FR | |
| cedar forest | FR | |
| cherry black cherry | FR | |
| clover | FR | |
| country meadow | FR | |
| cucumber | FR | |
| dillenia | FR | |
| fern | FR | |
| fir balsam | FR | |
| floral | FR | |
| freesia | FR | |
| fruit tropical fruit | FL | |
| genet | FR | |
| gooseberry | FR | |
| hibiscus | FR | |
| honeysuckle | FR | |
| huckleberry | FR | |
| incense | FR | |
| iris blossom | FR | |
| jonquil | FR | |
| kiwi blossom | FR | |
| lily | FR | |
| lily of the valley | FR | |
| loganberry | FR | |
| lotus | FR | |
| magnolia | FR | |
| mango | FR | |
| mango flower | FR | |
| millefleurs | FR | |
| mulberry | FR | |
| musk | FR | |
| oriental | FR | |
| orris | FR | |
| pansy | FR | |
| passion blossom | FR | |
| peony | FR | |
| petunia | FR | |
| plum | FR | |
| plum blossom | FR | |
| powder | FR | |
| quince | FR | |
| raspberry | FR | |
| reseda | FR | |
| rose | FR | |
| scented stock | FR | |
| soda cream soda | FL | |
| sweet grass | FR | |
| sweet pea | FR | |
| tropical | FL | |
| tuberose | FR | |
| vanilla | FR | |
| violet | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| alpha- | cyclocitrylidene-4-methyl butan-3-one |
| 1,3- | dimethyl-a-ionone |
| 1,3- | dimethyl-alpha-ionone |
| (E)-2- | methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl) pent-1-en-3-one |
| (E)-2- | methyl-1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pent-1-en-3-one |
| 2- | methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one |
| 1- | penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl- |
| 1- | penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| 1-(2,6,6- | trimethyl-2-cyclohexen-1-yl)-2-methyl-1-penten-3-one |