EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

hexanal octane-1,3-diol acetal
2,4-dipentyl-1,3-dioxane

Supplier Sponsors

Name:2,4-dipentyl-1,3-dioxane
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, Edge or firefox)
Category:flavoring 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
PubMed:Search
NCBI:Search
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
 
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
 
Organoleptic Properties:
Odor Description:at 10.00 % in dipropylene glycol. fatty green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
hexanal octane-1,3-diol acetal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
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: --
 
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
 
References:
 2,4-dipentyl-1,3-dioxane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):526993
Pubchem (sid):163642001
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
fresh carbaldehyde
FR
undecanal
FL/FR
balsamic
guaiyl acetate
FL/FR
fatty
3-
decen-2-one
FL/FR
methyl 2-hexenoate
FL/FR
(E)-2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
2-
octenal
FL/FR
fruity
ethyl hexanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
dodecanal dimethyl acetal
FL/FR
heptanal cyclic propylene acetal
FL/FR
3-
heptanone
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
waxy
2,4-
nonadien-1-ol
FL/FR
For Flavor
No flavor group found for these
epoxy-2-decenal
FL
furfuryl hexanoate
FL
guaiyl acetate
FL/FR
heptanal cyclic propylene acetal
FL/FR
2-
heptenal
FL/FR
hexanal butane-2,3-diol acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 2-hexenoate
FL/FR
2-
octenal
FL/FR
fatty
fatty
2,4-
decadienal
FL
(E,E)-2,4-
heptadienal
FL
2-
heptyl furan
FL/FR
2,4-
nonadien-1-ol
FL/FR
2,4-
nonadienal
FL
(E)-2-
octenal
FL/FR
fruity
ethyl hexanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
3-
decen-2-one
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
dodecanal dimethyl acetal
FL/FR
(Z)-4-
heptenal
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(E)-2-
nonenal
FL/FR
(E,E)-2,4-
octadienal
FL
(E)-2-
octen-1-yl acetate
FL/FR
ketonic
3-
heptanone
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
waxy
undecanal
FL/FR
 
Potential Uses:
FLgreen
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
Used as a food additive [EAFUS]
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