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heptanal cyclic trimethylene acetal

Chemical Structure

General Material Information

Preferred name heptanal cyclic trimethylene acetal
Trivial Name 2-Hexyl-4-methyl-1,3-dioxane
Short Description m-dioxane, 2-hexyl-4-methyl-
Formula C11 H22 O2
CAS Number 3080-69-1
ECHA Number 221-371-7
FDA UNII Search
Nikkaji Number J217.240B
xLogP3-AA 3.50 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • aldehyde C-7 cyclic trimethylene acetal
  • 1,3-dioxane, 2-hexyl-4-methyl-
  • m- dioxane, 2-hexyl-4-methyl-
  • heptaldehyde-1,3-butylene glycol acetal
  • heptanal, cyclic 1-methyltrimethylene acetal
  • heptanal, cyclic 1,3-propanediyl acetal
  • heptanal, cyclic trimethylene acetal
  • 2-hexyl-4-methyl-1, 3-dioxane
  • 2-hexyl-4-methyl-1,3-dioxane
  • 4-methyl-2-hexyl-1,3-dioxane
  • 1,3-Dioxane, 2-hexyl-4-methyl-
  • m-Dioxane, 2-hexyl-4-methyl-
  • 2-Hexyl-4-methyl-1,3-dioxane
  • NSC 6838

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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

Suppliers

BOC Sciences

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 186.29473876953
Boiling Point 224 to 225°C @ 760 mm Hg
Vapor Pressure 0.138 mmHg @ 25 °C
Flash Point TCC Value 83.9 °C TCC
logP (o/w) 3.368 est
Solubility
alcohol Yes
water, 55.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
geranium, rose, floral
General comment At 100.00 %. geranium rose

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:
information only not used for fragrances or flavors
Recommendation for heptanal cyclic trimethylene acetal usage levels up to:
not for fragrance use.
Recommendation for heptanal cyclic trimethylene acetal 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):3080-69-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :95401
National Institute of Allergy and Infectious Diseases:Data
2-hexyl-4-methyl-1,3-dioxane
Chemidplus:0003080691