2-hexyl-5 or 6-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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5-hexyl-1,4-dioxan-2-one (Click)
CAS Number: 65504-97-4Picture of molecule
FDA UNII: JIF6FD0DPG
XlogP3-AA: 2.70 (est)
Molecular Weight: 186.25106000
Formula: C10 H18 O3
NMR Predictor: Predict (works with chrome or firefox)
6-hexyl-1,4-dioxan-2-one (Click)
CAS Number: 59646-18-3Picture of molecule
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
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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: 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
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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
  
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Cosmetic Information:
None found
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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
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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 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
Click here to view publication 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: --
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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
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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
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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): HMDB39582
FooDB: FDB019212
Export Tariff Code: 2932.29.6000
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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
balsamic
 propyl benzoateFL/FR
bready
 coffee furanoneFL/FR
buttery
 acetyl propionylFL/FR
3,4-hexane dioneFL/FR
camphoreous
 bornyl isobutyrateFL/FR
caramellic
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
chocolate
 chocolate pyrazine AFL/FR
2,5-dimethyl pyrazineFL/FR
2-methoxypyrazineFL/FR
2-methyl butyraldehydeFL/FR
coconut
alpha-angelica lactoneFL/FR
gamma-heptalactoneFL/FR
 popcorn pyrimidineFL/FR
coumarinic
 coumaneFL/FR
 tonka bean resinoidFR
earthy
2-ethyl-3-methoxypyrazineFL/FR
fatty
 coconut absoluteFL/FR
fermented
 valeraldehydeFL/FR
floral
 boronia butenalFR
para-cresyl laurateFL/FR
fruity
 allyl 2-ethyl butyrateFL/FR
isoamyl nonanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 tropical thiazoleFL/FR
2-heptyl furanFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
herbal
 saffron pyranoneFR
musty
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
 hazelnut pyrazineFL/FR
 menthofuranFL/FR
naphthyl
ortho-methyl anisoleFL/FR
para-methyl anisoleFL/FR
nutty
3-acetyl pyridineFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
3,5-cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-ethyl pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
2,6-lutidineFL/FR
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 shoyu pyrazineFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
popcorn
2-acetyl pyrazineFL/FR
2-acetyl thiazoleFL/FR
sulfurous
 benzothiazoleFL/FR
 furfuryl thioacetateFL/FR
tobacco
 veltonal (Bedoukian)FR
tonka
 coumarinFR
 tonka bean absoluteFR
 whiskey lactoneFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-2-pyrrolineFL
2-acetyl-3-methyl pyrazineFL/FR
 allyl 2-ethyl butyrateFL/FR
 bornyl isobutyrateFL/FR
 butyramideFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 coumaneFL/FR
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
2,5-diethyl-4-methyl thiazoleFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl thiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
2-ethyl-3-methoxypyrazineFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
3-(2-furyl) acroleinFL
(E,E)-2,4-heptadien-1-olFL
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
 peanut dithiazineFL
2-propyl pyridineFL
para-salicylic acidFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 valeraldehyde propylene glycol acetalFL/FR
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 valeraldehyde dibutyl acetalFL/FR
alliaceous
2-methyl thioacetaldehydeFL
 tropical thiazoleFL/FR
bready
2-propionyl thiazoleFL
burnt
2-methyl quinoxalineFL
buttery
 butyroinFL
3,4-hexane dioneFL/FR
camphoreous
ortho-methyl anisoleFL/FR
coffee
 difurfuryl etherFL
2-ethyl-4-methyl thiazoleFL/FR
2-isopropyl pyrazineFL
corn chip
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
 popcorn pyrimidineFL/FR
creamy
alpha-angelica lactoneFL/FR
earthy
2-methyl-3-propyl pyrazineFL/FR
fatty
 coconut absoluteFL/FR
(E,E)-2,4-decadienalFL
2-heptyl furanFL/FR
(E,E)-2,4-nonadienalFL
fishy
4,5-dimethyl thiazoleFL
fruity
2,4-hexadien-1-olFL
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 propyl benzoateFL/FR
fusel
2-methyl butyraldehydeFL/FR
green
 dihydroxyacetophenone (mixed isomers)FL
2,5-dimethyl thiopheneFL
4-methyl thiazoleFL
2-methyl-5-isopropyl pyrazineFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
2-vinyl pyrazineFL
lactonic
gamma-heptalactoneFL/FR
meaty
 benzothiazoleFL/FR
musty
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
 hazelnut pyrazineFL/FR
 menthofuranFL/FR
 propionaldehydeFL
 shoyu pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
naphthyl
para-methyl anisoleFL/FR
nutty
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
3,6-cocoa pyrazineFL/FR
3,5-cocoa pyrazineFL/FR
 coffee furanoneFL/FR
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2,4-dimethyl-5-vinyl thiazoleFL
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
2,6-lutidineFL/FR
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peanut oxazoleFL
2,3,5,6-tetramethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
popcorn
2-propionyl-2-thiazolineFL
roasted
2-acetyl pyrazineFL/FR
 furfuryl thioacetateFL/FR
toasted
 acetyl propionylFL/FR
waxy
para-cresyl laurateFL/FR
winey
isoamyl nonanoateFL/FR
5-ethyl-2-methyl pyridineFL
 valeraldehydeFL/FR
woody
 whiskey lactoneFL/FR
 
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Potential Uses:
 nutFL
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Occurrence (nature, food, other): note
 not found in nature
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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
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