2-amyl-5 or 6-keto-1,4-dioxane
2-pentyl-5 or 6-keto-1,4-dioxane
 
Notes:
Mixed isomers used in food flavouring
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CAS Number: 65504-96-3 
FDA UNII: 6H6QCT76Z0
CoE Number: 2205
Molecular Weight: 172.22412000
Formula: C9 H16 O3
EFSA/JECFA Comments: CASrn in Register does not specify stereoisomers. Mixture of 5-pentyl- and 6-pentyl-1,4-dioxane-2-one 68% 5- & 29 % 6-isomer (sum isomers > 95 %). Racemate (EFFA, 2010).
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1485  2-amyl-5 or 6-keto-1,4-dioxane
DG SANTE Food Flavourings: 13.027  2-pentyl-5 or 6-keto-1,4-dioxane
FEMA Number: 2076 2-amyl-5 or 6-keto-1,4-dioxane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):65504-96-3 ; 2-AMYL-5 OR 6-KETO-1,4-DIOXANE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.28800 to 1.29400 @  25.00 °C.
Pounds per Gallon - (est).: 10.717 to 10.767
Refractive Index: 1.48000 to 1.48600 @  20.00 °C.
Boiling Point: 101.00 to  103.00 °C. @ 15.00 mm Hg
Soluble in:
 alcohol
 water, slightly
 water, 1.198e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
2-butyl-5(6)-keto-1,4-dioxane
2-hexyl-5 or 6-keto-1,4-dioxane
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 
 fruity  winey  
Odor Description:
at 1.00 % in dipropylene glycol. 		fruity winey
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
2-Amyl-5 Or 6-keto-1,4-dioxane
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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-amyl-5 or 6-keto-1,4-dioxane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (μg/capita/day)
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: 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:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 83, (FGE.83) [1] - Consideration of 6-keto-1,4-dioxane derivatives substances evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 83, Revision 1 (FGE.83Rev1): Consideration of ethyl maltol and two 6-keto-1,4-dioxane derivatives substances evaluated by JECFA (65th meeting)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
Chemidplus: 0065504963
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References:
Canada Domestic Sub. List: 65504-96-3
Pubchem (sid): 135310405
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Other Information:
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB59936
FooDB: FDB016141
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
isoamyl benzoateFL/FR
 terpinyl cinnamateFL/FR
caramellic
 diethyl malateFL/FR
 maltyl isobutyrateFL/FR
citrus
2-heptanolFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
2-methyl valeraldehydeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 butyl undecylenateFL/FR
 methyl (E)-2-hexenoateFL/FR
fermented
isobutyl decanoateFL/FR
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
floral
 dimethyl anthranilateFL/FR
 hexyl nonanoateFL/FR
 methyl citronellateFL/FR
 phenethyl acetateFL/FR
fruity
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 artemisia pallens herb oilFL/FR
isobutyl acetoacetateFL/FR
 butyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl formateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dimethyl succinateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl heptanoateFL/FR
 farnesyl acetoneFL/FR
 fig crotonateFR
 geranyl acetoacetateFL/FR
 geranyl methyl tiglate 
 heptanal cyclic ethylene acetalFR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl nonanoateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentanoneFL/FR
2-pentyl furanFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl isobutyrateFL/FR
 rhubarb undecaneFR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isoamyl formateFL/FR
 benzaldehyde dimethyl acetalFL/FR
alpha-decalactoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 manzanate (Givaudan)FL/FR
 phenoxyethyl isobutyrateFL/FR
 propylene acetalFL/FR
 violet dienyneFR
herbal
isoamyl tiglateFL/FR
 ethyl chrysanthemateFR
 phenethyl senecioateFL/FR
 viridiflorolFL/FR
honey
 methyl hydrocinnamateFL/FR
roasted
2-methyl-1-butanolFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
tropical
beta-cyclocitralFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
woody
 amber carbinolFR
 verdoxanFR
 
For Flavor
 
No flavor group found for these
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
 butyl acetoacetateFL/FR
 butyl angelateFL/FR
isobutyl decanoateFL/FR
 butyl formateFL/FR
isobutyraldehyde propylene glycol acetalFL
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl aconitateFL
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
2-hexanolFL/FR
2-hexenalFL
2-hexenal diethyl acetalFL
 hexyl (E)-2-hexenoateFL
 hexyl nonanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl hydrocinnamateFL/FR
2-methyl-1-butanolFL/FR
2-methyl-2-octenalFL
(E)-2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
 phenethyl senecioateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 propylene acetalFL/FR
 sorbyl propionateFL
 viridiflorolFL/FR
isoamyl 3-(2-furan) propionateFL/FR
alliaceous
 tropical thiazoleFL/FR
cooling
 manzanate (Givaudan)FL/FR
estery
 ethyl acetoacetateFL/FR
ethereal
isobutyl alcoholFL/FR
fatty
isoamyl laurateFL/FR
 methyl decanoateFL/FR
floral
 methyl citronellateFL/FR
fruity
isoamyl acetoacetateFL/FR
isoamyl benzoateFL/FR
isoamyl octanoateFL/FR
 artemisia pallens herb oilFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl heptanoateFL/FR
 furfuryl propionateFL
 geranyl methyl tiglate 
2-heptanolFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl phenyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 octen-1-yl cyclopentanoneFL/FR
2-pentanoneFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl isobutyrateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 allyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
 benzaldehyde dimethyl acetalFL/FR
 cassis pentanoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 methyl 2-undecynoateFL
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
musty
 propionaldehydeFL
rummy
(E)-2-hexen-1-yl formateFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
tropical
beta-cyclocitralFL/FR
 passiflora acetateFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl butyrateFL/FR
 butyl undecylenateFL/FR
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 fruitFR
 fruit tropical fruitFL
 wineFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
5 or 6-pentyl-1,4-dioxan-2-one
2-pentyl-5 or 6-keto-1,4-dioxane
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