2-nonanone propylene glycol acetal
2-heptyl-2,4-dimethyl-1,3-dioxolane
 
Notes:
Used as a food additive [EAFUS]
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2-heptyl-2,4-dimethyl-1,3-dioxolane (Click)
CAS Number: 165191-91-3Picture of molecule
FDA UNII: 6H82GVN5JJ
Nikkaji Web: J3.153.033D
XlogP3-AA: 3.90 (est)
Molecular Weight: 200.32168000
Formula: C12 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
JECFA Food Flavoring: 2076  2-nonanone propyleneglycol acetal
FEMA Number: 4399  2-nonanone propyleneglycol acetal
FDA Mainterm: 2-NONANONE PROPYLENEGLYCOL ACETAL
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.88200 to 0.88800 @  20.00 °C.
Pounds per Gallon - (est).: 7.348 to  7.398
Refractive Index: 1.43000 to 1.43500 @  20.00 °C.
Boiling Point: 104.00 to  105.00 °C. @ 11.00 mm Hg
Boiling Point: 227.00 to  228.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.118000 mm/Hg @ 25.00 °C. (est)
Flash Point: 186.00 °F. TCC ( 85.40 °C. ) (est)
logP (o/w): 4.056 (est)
Soluble in:
 alcohol
 fats
 oils
 water, 4.82 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 fruity  floral  fatty  herbal  
Odor Description:
at 100.00 %. 
fruity floral fatty herbal
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
2-nonanone propylene glycol acetal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 2-nonanone propylene glycol acetal usage levels up to:
  0.2000 % in the fragrance concentrate.
 
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.200002.00000
beverages(nonalcoholic): 0.050000.20000
beverages(alcoholic): 0.050000.50000
breakfast cereal: --
cheese: 0.100001.00000
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.100001.00000
fish products: --
frozen dairy: 0.050000.20000
fruit ices: --
gelatins / puddings: 0.100000.50000
granulated sugar: --
gravies: --
hard candy: 0.100001.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.100001.00000
soft candy: 0.100001.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 246089
National Institute of Allergy and Infectious Diseases: Data
 2-heptyl-2,4-dimethyl-1,3-dioxolane
Chemidplus: 0165191913
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References:
 2-heptyl-2,4-dimethyl-1,3-dioxolane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 246089
Pubchem (sid): 135339657
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): Search
FooDB: FDB009941
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
FAO: 2-Nonanone propyleneglycol acetal
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1,3-dioxolane, 2-heptyl-2,4-dimethyl-
 heptyl methyl ketone propylene glycol acetal
2-heptyl-2,4-dimethyl-1,3-dioxolane
 nonan-2-one propylene glycol acetal
2-nonanone propyleneglycol acetal
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Articles:
 None found yet.
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