Articles:
| PubMed: | From Cassyrane to cashmeran - the molecular parameters of odorants. |
2,5-octadien-4-one, 5,6,7-trimethyl-, (2E,5Z)-
Notes:
None found
| Fragrance Demo Formulas | ||
| CAS Number: | 357650-26-1 |  3D/inchi
|
| Nikkaji Web: | J1.589.122J | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 166.26366000 | |
| Formula: | C11 H18 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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 236.15 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.048000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 193.00 °F. TCC ( 89.40 °C. ) (est) |
| logP (o/w): | 2.683 (est) |
| Soluble in: | |
| alcohol | |
| water, 54.88 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| fruity rose apple plum raisin fruit dried fruit | |
| Odor Description: at 1.00 % in dipropylene glycol. | fruity rose dried apple plum raisin dried fruit |
| 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 pomarose flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 357650-26-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 11030204 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (2E,5Z)-5,6,7-trimethylocta-2,5-dien-4-one | |
| Chemidplus: | 0357650261 |
References:
| (2E,5Z)-5,6,7-trimethylocta-2,5-dien-4-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 11030204 |
| Pubchem (sid): | 135351421 |
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 |
| Wikipedia: | View |
Potential Blenders and core components note
| For Odor | ||
| floral | ||
| (Z)-alpha- | damascone | FL/FR |
| dimethyl benzyl carbinyl butyrate | FL/FR | |
| ethyl safranate | FR | |
| phenethyl isovalerate | FL/FR | |
| fruity | ||
| (E)-beta- | damascenone | FL/FR |
| (E)-alpha- | damascone | FL/FR |
| geranyl 2-methyl butyrate | FL/FR | |
| geranyl butyrate | FL/FR | |
| (E,E)- | pomarose | FR |
| For Flavor | ||
| No flavor group found for these | ||
| (E)-beta- | damascenone | FL/FR |
| (Z)-alpha- | damascone | FL/FR |
| geranyl 2-methyl butyrate | FL/FR | |
| floral | ||
| dimethyl benzyl carbinyl butyrate | FL/FR | |
| fruity | ||
| (E)-alpha- | damascone | FL/FR |
| geranyl butyrate | FL/FR | |
| phenethyl isovalerate | FL/FR | |
Potential Uses:
| floral | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2,5- | octadien-4-one, 5,6,7-trimethyl-, (2E,5Z)- |
| (2E,5Z)-5,6,7- | trimethyl-2,5-octadien-4-one |
| (E,Z)-5,6,7- | trimethyl-2,5-octadien-4-one |
| (2E,5Z)-5,6,7- | trimethylocta-2,5-dien-4-one |