Articles:
| US Patents: | 6,723,313 - 2-,5-,6-,7-,8-substituted oct-2-en-4-ones |
(2E,5E)-5,6,7,7-tetramethyl-2,5-octadien-4-one
Notes:
None found
| CAS not found | NF0133 |  3D/inchi
|
| Nikkaji Web: | J1.589.130K | |
| XlogP3-AA: | 3.90 (est) | |
| Molecular Weight: | 180.29060000 | |
| Formula: | C12 H20 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 249.87 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.022000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 205.00 °F. TCC ( 96.10 °C. ) (est) |
| logP (o/w): | 3.094 (est) |
| Soluble in: | |
| water, 19.28 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium , recommend smelling in a 1.00 % solution or less |
| fruity apple fruit dried fruit celery jasmin herbal | |
| Odor Description: 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 |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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 | |||
| Recommendation for (E,E)-5,6,7,7-tetramethyl-2,5-octadien-4-one flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Laboratory Chemical Safety Summary : | 11008539 |
| (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one |
References:
| (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11008539 |
| Pubchem (sid): | 76913593 |
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:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (2E,5E)-5,6,7,7- | tetramethyl-2,5-octadien-4-one |
| (2E,5E)-5,6,7,7- | tetramethylocta-2,5-dien-4-one |