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heptanal cyclic trimethylene acetal
m-dioxane, 2-hexyl-4-methyl-

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Name:2-hexyl-4-methyl-1,3-dioxane
CAS Number: 3080-69-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:221-371-7
Nikkaji Web:J217.240B
XlogP3-AA:3.50 (est)
Molecular Weight:186.29474000
Formula:C11 H22 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 224.00 to 225.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.138000 mmHg @ 25.00 °C. (est)
Flash Point: 183.00 °F. TCC ( 83.90 °C. ) (est)
logP (o/w): 3.368 (est)
Soluble in:
 alcohol
 water, 55.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
geranium rose floral
Odor Description:at 100.00 %. geranium rose
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-hexyl-4-methyl-1,3-dioxane
 
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
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
 
References:
 2-hexyl-4-methyl-1,3-dioxane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):95401
Pubchem (sid):135052878
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

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Notes:
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