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2,4,6-triisobutyl-1,3,5-trioxane

Chemical Structure

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
  • 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane
  • 1,3,5-Trioxane, 2,4,6-tris(2-methylpropyl)-
  • 2,4,6-Tris(2-methylpropyl)-1,3,5-trioxane
  • 1,3,5-Triisobutyl-2,4,6-trioxane

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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