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2,4,6-triisobutyl-1,3,5-trioxane
General Material Information
| Preferred name | 2,4,6-triisobutyl-1,3,5-trioxane |
| Trivial Name | 2,4,6-Tris(2-methylpropyl)-1,3,5-trioxane |
| Short Description | 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane |
| Formula | C15 H30 O3 |
| CAS Number | 68165-40-2 |
| ECHA Number | 269-012-3 |
| FDA UNII | 4KW7X7XVE1 |
| Nikkaji Number | J317.377A |
| xLogP3-AA | 5.10 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 258.40170288086 |
| Vapor Pressure | 0.002 mmHg @ 25 °C |
| Flash Point TCC Value | 99.9 °C TCC |
| logP (o/w) | 5.135 est |
| Solubility | |
| water, 1.401 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Dairy | |
| sweet, dairy, creamy, vanilla, berry, milky, chocolate, cocoa | |
| General comment | At 1.00 % in propylene glycol. sweet dairy-like creamy vanilla berry-like milk chocolate-like and coco butter-like |
| Flavor Type: Dairy | |
| sweet, dairy, creamy, vanilla, berry, milky, chocolate, cocoa | |
| General comment | Sweet dairy-like creamy vanilla berry milk chocolate-like and cocoa butter-like |
Potential Uses
| Applications | |
| Odor purposes | Berry , Chocolate , Vanilla |
| Flavoring purposes | Chocolate cocoa |
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: | |
| oral-mouse LD50 935 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for 2,4,6-triisobutyl-1,3,5-trioxane usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 2,4,6-triisobutyl-1,3,5-trioxane flavor usage levels up to: | |||
| not for flavor 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 :198512 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane |
| Chemidplus:0068165402 |