| Preferred name | (E,E)-5,6,7,7-tetramethyl-2,5-octadien-4-one |
| Trivial Name | (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one |
| Short Description | (2E,5E)-5,6,7,7-tetramethyl-2,5-octadien-4-one |
| Formula | C12 H20 O |
| Nikkaji Number | J1.589.130K |
| xLogP3-AA | 3.90 (est) |
| NMR Predictor | External link |
| Synonyms |
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| (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11008539 |
| Pubchem (sid): | 76913593 |
| Publications by US Patents | |
| 6,723,313 - 2-,5-,6-,7-,8-substituted oct-2-en-4-ones | |
| (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 |
| Material listed in food chemical codex | No |
| Molecular weight | 180.2906036377 |
| Vapor Pressure | 0.022 mmHg @ 25 °C |
| Flash Point TCC Value | 96.1 °C TCC |
| logP (o/w) | 3.094 est |
| Solubility | |
| water, 19.28 mg/L @ 25 °C (est) | Yes |
| Odor Type: Fruity | |
| fruity, apple, fruit dried fruit, celery, jasmin, herbal | |
| General comment | At 1.00 % in dipropylene glycol. fruity, intensively reminiscent of apples, but also strongly reminiscent of dried fruits, having a somewhat celery- and jasmone-like side, and agrestic aspects |
| 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 | |
| Category: | |||
| fragrance agents | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (E,E)-5,6,7,7-tetramethyl-2,5-octadien-4-one flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Laboratory Chemical Safety Summary :11008539 |
| (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one |