2-hexyl-5 or 6-keto-1,4-dioxane
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IUPAC name :5-hexyl-1,4-dioxan-2-one
InChI :InChI=1/C10H18O3/c1-2-3-4-5-6-9-7-13-10(11)8-12-9/h9H,2-8H2,1H3
InChIKey :KBOAQIXMCPQXIP-UHFFFAOYAS
SMILES :CCCCCCC1COC(=O)CO1
cas number :65504-97-4
fema number :2574
jecfa number :1486
molar refractivity :49.64 ± 0.3 cm3
parachor :444.7 ± 6.0 cm3
index of refraction :1.439 ± 0.02
surface tension :30.9 ± 3.0 dyne/cm
density :0.987 ± 0.06 g/cm3
polarizability :19.68 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 186.2481200 (IUPAC)
formula :C10 H18 O3
NMR Predictor :Predict
 
 
export tariff code :2932.29.6000
fda reg :unspecified
Suppliers :
Need This Molecule?:You can contact the Chemical Sources Association and ask the Sourceress.
organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		sweet nutty
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.28000 to 1.28600 @ 25.00 °C.
pounds per gallon - calc. :10.651 to 10.701
refractive index :1.48600 to 1.49200 @ 20.00 °C.
boiling point : 104.00 °C. @ 15.00 mm Hg
flash point : 245.00  °F.  TCC  ( 118.33 °C. )
logP (o/w) : 1.61
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for 2-hexyl-5 or 6-keto-1,4-dioxane fragrance usage levels up to :
 not for fragrance use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 
5-hexyl-1,4-dioxan-2-one
chemidplus :065504974
EPA Substance Registry Services :65504-97-4
references :
 
5-hexyl-1,4-dioxan-2-one
jecfa number :1486
pubchem :3749999
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
5 or 6-hexyl-1,4-dioxan-2-one
5-hexyl-1,4-dioxan-2-one
1 or 2-hexyl-2-hydroxyethoxyacetic acid delta-lactone
Similar Products:    note
2-amyl-5 or 6-keto-1,4-dioxane
2-butyl-5(6)-keto-1,4-dioxane
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :    note
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 allyl 2-ethyl butyrateFL
isoamyl nonanoateFL/FR
alpha-angelica lactoneFL/FR
 benzothiazoleFL
 bornyl isobutyrateFL/FR
 boronia butenalFR
 butyramideFL
 butyroinFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coffee furanoneFL
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
 cyclohexyl methyl pyrazineFL
(E,E)-2,4-decadien-1-alFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dihydroxyacetophenoneFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2,4-dimethyl-5-vinyl thiazoleFL
2-ethoxythiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
2-heptyl furanFL
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
4-hydroxybenzoic acidFL
 maraniolCS
 menthofuranFL/FR
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
2-methyl anisoleFL/FR
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadien-1-alFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peanut dithiazineFL
 peanut oxazoleFL
 popcorn pyrimidineFL/FR
 propionaldehydeFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 saffron pyranoneFR
 shoyu pyrazineFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5,6-tetramethyl pyrazineFL
 tobacco butenalFR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,3,5-trimethyl pyrazineFL
 tropical thiazoleFL/FR
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
potential uses :
 nut
natural occurrence in :    note
 not found in nature  

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