Articles:
| None found yet. Try the PubMed Search. |
Notes:
None found
| CAS Number: | 1117-41-5 |  3D/inchi
|
| Other(deleted CASRN): | 5659-78-9 | |
| ECHA EINECS - REACH Pre-Reg: | 214-245-8 | |
| FDA UNII: | Search | |
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 206.32854000 | |
| Formula: | C14 H22 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: information only not used for fragrances or flavors
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 |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 50.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 311.00 to 313.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000493 mmHg @ 25.00 °C. (est) |
| Flash Point: | 279.00 °F. TCC ( 137.22 °C. ) |
| logP (o/w): | 4.246 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.271 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
not used anymore |
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: | |
|
oral-rat LDLo 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 413, 1988. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 2500 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 413, 1988. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | information only not used for fragrances or flavors | ||
| IFRA Critical Effect: | Dermal sensitization | ||
| IFRA: | View Standard | ||
| Recommendation for pseudo-isomethyl ionone usage levels up to: | |||
| PROHIBITED: Should not be used as a fragrance ingredient. | |||
| Recommendation for pseudo-isomethyl 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): | 1117-41-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6436890 |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| (3E,5E)-3,6,10-trimethylundeca-3,5,9-trien-2-one | |
| Chemidplus: | 0001117415 |
References:
| (3E,5E)-3,6,10-trimethylundeca-3,5,9-trien-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1117-41-5 |
| Pubchem (cid): | 6436890 |
| Pubchem (sid): | 135058384 |
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
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| pseudo-iso | methyl ionone |
| methyl isopseudoionone | |
| iso | methyl pseudoionone |
| methylisopseudoionone | |
| 3,6,10- | trimethyl undeca-3,5,9-trien-2-one |
| (3E,5E)-3,6,10- | trimethyl-3,5,9-undecatrien-2-one |
| 2,6,9- | trimethylundeca-2,6,8-trien-10-one |
| (3E,5E)-3,6,10- | trimethylundeca-3,5,9-trien-2-one |
| 3,6,10- | trimethylundeca-3,5,9-trien-2-one |
| 3,5,9- | undecatrien-2-one, 3,6,10-trimethyl- |
| 3,5,9- | undecatrien-2-one, 3,6,10-trimethyl-, (3E,5E)- |