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isomesityl oxide
General Material Information
| Preferred name | isomesityl oxide |
| Trivial Name | 4-Methyl-4-penten-2-one |
| Short Description | 4-penten-2-one, 4-methyl- |
| Formula | C6 H10 O |
| CAS Number | 3744-02-3 |
| FDA UNII | P549RW6459 |
| Nikkaji Number | J121.791G |
| xLogP3-AA | 1.30 (est) |
| NMR Predictor | External link |
| FDA Mainterm | 3744-02-3 ; 4-METHYL-4-PENTEN-2-ONE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB31564 |
| FooDB: | FDB008179 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 98.144897460938 |
| Boiling Point | 124 to 125°C @ 760 mm Hg |
| Boiling Point | 120 to 121°C @ 760 mm Hg |
| Vapor Pressure | 15.1 mmHg @ 25 °C |
| Flash Point TCC Value | 24.7 °C TCC |
| logP (o/w) | 1.16 |
| Solubility | |
| alcohol | Yes |
| water, 12100 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Vegetable | |
| pungent, vegetable, acrylate | |
| General comment | At 0.10 % in propylene glycol. pungent vegetable acrylic |
Occurrences
| (data available) |
Safety Information
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: | |||
| flavoring agents | |||
| Recommendation for isomesityl oxide usage levels up to: | |||
| not for fragrance use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :19543 |
| National Institute of Allergy and Infectious Diseases:Data |
| 4-methylpent-4-en-2-one |
| Chemidplus:0003744023 |