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5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-4-penten-3-one
Notes:
Methyl ionone replacer.
| CAS Number: | 68459-99-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 270-623-2 | |
| Nikkaji Web: | J310.558J | |
| XlogP3-AA: | 4.00 (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: | pale yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 296.00 to 298.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 264.00 °F. TCC ( > 128.80 °C. ) (est) |
| logP (o/w): | 4.523 (est) |
| Soluble in: | |
| alcohol | |
| water, 1.236 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| Substantivity: | 128 hour(s) at 100.00 % |
| sweet floral violet woody | |
| Odor Description: at 100.00 %. | sweet floral violet woody |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| None found |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 4-dimethyl ionone usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Recommendation for 4-dimethyl 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): | 68459-99-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5376281 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one | |
| Chemidplus: | 0068459994 |
References:
| (E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 68459-99-4 |
| Pubchem (cid): | 5376281 |
| Pubchem (sid): | 135065719 |
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 |
| Export Tariff Code: | 2914.23.0000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| violet | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2- | methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl) pent-1-en-3-one |
| 4- | methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl) pent-1-en-3-one |
| 4- | methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one |
| (1E)-4- | methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one |
| (E)-4- | methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one |
| 1- | penten-3-one, 4-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- |
| 1- | penten-3-one, 4-methyl-1-[2,6,6-trimethyl-2-cyclohexen-1-yl]- |
| 5-(2,6,6- | trimethyl-2-cyclohexen-1-yl)-2-methyl-4-penten-3-one |