Articles:
| None found yet. |
3-buten-2-one, 4-(2,3,6-trimethylphenyl)-, (3E)-
Notes:
Flavouring compound [Flavornet]
| CAS Number: | 57461-21-9 |  3D/inchi
|
| Nikkaji Web: | J972.128B | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 188.26972000 | |
| Formula: | C13 H16 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and 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:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 306.00 to 307.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 235.00 °F. TCC ( 112.78 °C. ) |
| logP (o/w): | 3.553 (est) |
| Soluble in: | |
| alcohol | |
| water, 36.14 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| floral green | |
| Odor Description: at 10.00 % in dipropylene glycol. | floral green |
| 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: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6428793 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (E)-4-(2,3,6-trimethylphenyl)but-3-en-2-one |
References:
| (E)-4-(2,3,6-trimethylphenyl)but-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6428793 |
| Pubchem (sid): | 10544730 |
| Flavornet: | 57461-21-9 |
| Pherobase: | View |
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 |
| FooDB: | FDB029758 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 3- | buten-2-one, 4-(2,3,6-trimethylphenyl)-, (3E)- |
| trans- | trimethyl phenyl butenone |
| (3E)-4-(2,3,6- | trimethyl phenyl)-3-buten-2-one |
| (E)-4-(2,3,6- | trimethyl phenyl)-3-buten-2-one |
| trans-4-(2,3,6- | trimethyl phenyl)-3-buten-2-one |
| (E)-4-(2,3,6- | trimethylphenyl)but-3-en-2-one |
| trans-4-(2,3,6- | trimethylphenyl)but-3-en-2-one |