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2-hexyl-5 or 6-keto-1,4-dioxane
2-hexyl-5(or 6)-keto-1,4-dioxane

Sponsors

Name:5-hexyl-1,4-dioxan-2-one
CAS Number: 65504-97-4Picture of molecule3D/inchi
FDA UNII:JIF6FD0DPG
XlogP3-AA:2.70 (est)
Molecular Weight:186.25106000
Formula:C10 H18 O3
NMR Predictor:Predict (works with chrome or firefox)
Name:6-hexyl-1,4-dioxan-2-one
CAS Number: 59646-18-3Picture of molecule3D/inchi
FDA UNII:253TJ775PU
XlogP3-AA:2.70 (est)
Molecular Weight:186.25106000
Formula:C10 H18 O3
NMR Predictor:Predict (works with chrome 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
JECFA Food Flavoring:1486 2-hexyl-5 or 6-keto-1,4-dioxane

1486 2-hexyl-5 or 6-keto-1,4-dioxane
FDA Mainterm: 2-HEXYL-5 OR 6-KETO-1,4-DIOXANE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.28000 to 1.28600 @ 25.00 °C.
Pounds per Gallon - (est).: 10.651 to 10.701
Refractive Index:1.48600 to 1.49200 @ 20.00 °C.
Boiling Point: 104.00 °C. @ 15.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 245.00 °F. TCC ( 118.33 °C. )
logP (o/w): 1.581 (est)
Soluble in:
 alcohol
 water, slightly
 water, 3899 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
2-amyl-5 or 6-keto-1,4-dioxane
2-butyl-5(6)-keto-1,4-dioxane
 
Organoleptic Properties:
Odor Type: nutty
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
sweet nutty
Odor Description:at 1.00 % in dipropylene glycol. sweet nutty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
2-hexyl-5 or 6-keto-1,4-dioxane
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 2-hexyl-5 or 6-keto-1,4-dioxane 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: 3
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -5.00000
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -5.00000
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: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6455146
National Institute of Allergy and Infectious Diseases:Data
5-hexyl-1,4-dioxan-2-one
Chemidplus:0065504974
6-hexyl-1,4-dioxan-2-one
Chemidplus:0059646183
 
References:
 5-hexyl-1,4-dioxan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:65504-97-4
Pubchem (cid):6455146
Pubchem (sid):135194483
 6-hexyl-1,4-dioxan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:59646-18-3
Pubchem (cid):19993347
Pubchem (sid):319364701
 
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):HMDB39582
FooDB:FDB019212
Export Tariff Code:2932.29.6000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
sulfuryl octanoate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl propionate
FL/FR
valeraldehyde dibutyl acetal
FL/FR
valeraldehyde propylene glycol acetal
FL/FR
balsamic
balsamic
propyl benzoate
FL/FR
bready
coffee furanone
FL/FR
buttery
acetyl propionyl
FL/FR
3,4-
hexane dione
FL/FR
camphoreous
bornyl isobutyrate
FL/FR
caramellic
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
chocolate
chocolate pyrazine A
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2-
methoxypyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
coconut
alpha-
angelica lactone
FL/FR
gamma-
heptalactone
FL/FR
corn chip
popcorn pyrimidine
FL/FR
coumarinic
coumane
FL/FR
tonka bean resinoid
FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
fatty
coconut absolute
FL/FR
fermented
valeraldehyde
FL/FR
floral
boronia butenal
FR
para-
cresyl laurate
FL/FR
fruity
allyl 2-ethyl butyrate
FL/FR
iso
amyl nonanoate
FL/FR
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
tropical thiazole
FL/FR
green
2-
heptyl furan
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
herbal
saffron pyranone
FR
musty
2-
acetyl pyrrole
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
hazelnut pyrazine
FL/FR
menthofuran
FL/FR
naphthyl
ortho-
methyl anisole
FL/FR
para-
methyl anisole
FL/FR
nutty
3-
acetyl pyridine
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-5-methyl furan
FL/FR
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl pyrazine
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
filbert heptenone
FL/FR
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
maraniol
CS
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
2-
methyl-3-propyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
nutty quinoxaline
FL/FR
shoyu pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
2-
acetyl thiazole
FL/FR
sulfurous
benzothiazole
FL/FR
furfuryl thioacetate
FL/FR
tobacco
veltonal (Bedoukian)
FR
tonka
coumarin
FR
tonka bean absolute
FR
whiskey lactone
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-2-pyrroline
FL
bornyl isobutyrate
FL/FR
butyramide
FL
chocolate pyrazine A
FL/FR
chocolate pyrazine B
FL
coumane
FL/FR
cyclohexyl methyl pyrazine
FL
2,5-
diethyl thiazole
FL
2,5-
diethyl-4-methyl thiazole
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl thiazole
FL
ethyl 2-hydroxy-2-methyl butyrate
FL/FR
2-
ethyl-3-methoxypyrazine
FL/FR
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
3-(2-
furyl) acrolein
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
methoxypyrazine
FL/FR
methyl 2-(methyl thio) acetate
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
peanut dithiazine
FL
2-
propyl pyridine
FL
para-
salicylic acid
FL
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
valeraldehyde propylene glycol acetal
FL/FR
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
sulfuryl propionate
FL/FR
valeraldehyde dibutyl acetal
FL/FR
alliaceous
alliaceous
2-
methyl thioacetaldehyde
FL
tropical thiazole
FL/FR
bready
2-
propionyl thiazole
FL
burnt
2-
methyl quinoxaline
FL
buttery
butyroin
FL
3,4-
hexane dione
FL/FR
camphoreous
ortho-
methyl anisole
FL/FR
coffee
difurfuryl ether
FL
2-
ethyl-4-methyl thiazole
FL/FR
2-iso
propyl pyrazine
FL
corn chip
2-
acetyl thiazole
FL/FR
2-
acetyl-2-thiazoline
FL
popcorn pyrimidine
FL/FR
creamy
alpha-
angelica lactone
FL/FR
earthy
2-
methyl-3-propyl pyrazine
FL/FR
ethereal
allyl 2-ethyl butyrate
FL/FR
fatty
coconut absolute
FL/FR
(E,E)-2,4-
decadienal
FL
2-
heptyl furan
FL/FR
(E,E)-2,4-
nonadienal
FL
fishy
4,5-
dimethyl thiazole
FL
fruity
2,4-
hexadien-1-ol
FL
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
propyl benzoate
FL/FR
fusel
2-
methyl butyraldehyde
FL/FR
green
dihydroxyacetophenone (mixed isomers)
FL
2,5-
dimethyl thiophene
FL
4-
methyl thiazole
FL
2-
methyl-5-isopropyl pyrazine
FL
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
2-
vinyl pyrazine
FL
lactonic
gamma-
heptalactone
FL/FR
meaty
benzothiazole
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
2-
ethoxythiazole
FL
hazelnut pyrazine
FL/FR
menthofuran
FL/FR
propionaldehyde
FL
shoyu pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
naphthyl
para-
methyl anisole
FL/FR
nutty
3-
acetyl pyridine
FL/FR
2-
acetyl pyrrole
FL/FR
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-5-methyl furan
FL/FR
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
coffee furanone
FL/FR
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2,4-
dimethyl-5-vinyl thiazole
FL
2-
ethyl pyrazine
FL/FR
1-
ethyl-2-acetyl pyrrole
FL
filbert heptenone
FL/FR
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
nutty cyclohexenone
FL/FR
nutty quinoxaline
FL/FR
nutty thiazole
FL
peanut oxazole
FL
2,3,5,6-
tetramethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
popcorn
2-
propionyl-2-thiazoline
FL
roasted
2-
acetyl pyrazine
FL/FR
furfuryl thioacetate
FL/FR
toasted
acetyl propionyl
FL/FR
waxy
para-
cresyl laurate
FL/FR
winey
iso
amyl nonanoate
FL/FR
5-
ethyl-2-methyl pyridine
FL
valeraldehyde
FL/FR
woody
whiskey lactone
FL/FR
 
Potential Uses:
FLnut
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,4-dioxan-2-one, 5-hexyl-
1,4-dioxan-2-one, 5(or 6)-hexyl-
5(or 6)-hexyl-1,3-dioxan-4-one
5 or 6-hexyl-1,4-dioxan-2-one
5-hexyl-1,4-dioxan-2-one
6-hexyl-1,4-dioxan-2-one
1 or 2-hexyl-2-hydroxyethoxyacetic acid delta-lactone
2-hexyl-5-keto-1,4-dioxane
2-hexyl-5(or 6)-keto-1,4-dioxane
 
 
Notes:
Used as a food additive [EAFUS] Perfumery and flavour ingredient. Component of FEMA 2574 Flavouring ingredient
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