hexanal octane-1,3-diol acetal
2,4-dipentyl-1,3-dioxane
 
Notes:
Used as a food additive [EAFUS]
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CAS Number: 202188-46-3Picture of molecule3D/inchi
FDA UNII: 8K24ODV341
XlogP3-AA: 5.00 (est)
Molecular Weight: 228.37556000
Formula: C14 H28 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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JECFA Food Flavoring: 1736  hexanal octane-1,3-diol acetal
FEMA Number: 4377 hexanal octane-1,3-diol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):202188-46-3 ; HEXANAL OCTANE-1,3-DIOL ACETAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86900 to 0.87500 @  25.00 °C.
Pounds per Gallon - (est).: 7.231 to  7.281
Refractive Index: 1.42500 to 1.43200 @  20.00 °C.
Boiling Point: 287.00 to  288.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.009000 mmHg @ 25.00 °C. (est)
Flash Point: 229.00 °F. TCC ( 109.20 °C. ) (est)
logP (o/w): 4.791 (est)
Soluble in:
 alcohol
 water, 1.848 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
at 10.00 % in dipropylene glycol. 
fatty green
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
hexanal octane-1,3-diol acetal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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: flavoring agents
Recommendation for hexanal octane-1,3-diol acetal usage levels up to:
 not for fragrance use.
 
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: --
beverages(nonalcoholic): 0.300001.50000
beverages(alcoholic): 0.500002.50000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.500002.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.500007.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.800004.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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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 : 526993
National Institute of Allergy and Infectious Diseases: Data
 2,4-dipentyl-1,3-dioxane
Chemidplus: 0202188463
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References:
 2,4-dipentyl-1,3-dioxane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 526993
Pubchem (sid): 163642001
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32318
FooDB: FDB009566
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 dodecanal (aldehyde C-12 lauric)FL/FR
 fresh carbaldehydeFR
 undecanalFL/FR
balsamic
 guaiyl acetateFL/FR
3-decen-2-oneFL/FR
 methyl 2-hexenoateFL/FR
(E)-2-nonenalFL/FR
2-octenalFL/FR
(E)-2-octenalFL/FR
fruity
 ethyl hexanoateFL/FR
 methyl 2-methyl butyrateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 dodecanal dimethyl acetalFL/FR
 heptanal cyclic propylene acetalFL/FR
3-heptanoneFL/FR
2-heptenalFL/FR
(Z)-4-heptenalFL/FR
2-heptyl furanFL/FR
 hexanal (aldehyde C-6)FL/FR
alpha-hexyl cinnamaldehyde dimethyl acetalFR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(E)-2-octen-1-yl acetateFL/FR
waxy
2,4-nonadien-1-olFL/FR
 
For Flavor
 
No flavor group found for these
 epoxy-2-decenalFL
 furfuryl hexanoateFL
 guaiyl acetateFL/FR
 heptanal cyclic propylene acetalFL/FR
2-heptenalFL/FR
 hexanal butane-2,3-diol acetalFL
 hexyl (E)-2-hexenoateFL
 methyl 2-hexenoateFL/FR
2-octenalFL/FR
fatty
2,4-decadienalFL
(E,E)-2,4-heptadienalFL
2-heptyl furanFL/FR
2,4-nonadien-1-olFL/FR
2,4-nonadienalFL
(E)-2-octenalFL/FR
fruity
 ethyl hexanoateFL/FR
 methyl 2-methyl butyrateFL/FR
 octen-1-yl cyclopentanoneFL/FR
green
3-decen-2-oneFL/FR
 dihydroxyacetophenone (mixed isomers)FL
 dodecanal dimethyl acetalFL/FR
(Z)-4-heptenalFL/FR
 hexanal (aldehyde C-6)FL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
(E)-2-nonenalFL/FR
(E,E)-2,4-octadienalFL
(E)-2-octen-1-yl acetateFL/FR
ketonic
3-heptanoneFL/FR
soapy
 dodecanal (aldehyde C-12 lauric)FL/FR
waxy
 undecanalFL/FR
 
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Potential Uses:
 greenFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 aldehyde C-6 octane-1,3-diol acetal
1,3-dioxane, 2,4-dipentyl-
2,4-dipentyl-1,3-dioxane
(+/-)-hexanal octane-1,3-diol acetal
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