gluconyl ethanolamine
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IUPAC name :2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide
InChI :InChI=1/C8H17NO7/c10-2-1-9-8(16)7(15)6(14)5(13)4(12)3-11/h4-7,10-15H,1-3H2,(H,9,16)
InChIKey :DTMUKVUZNZJFNO-UHFFFAOYAK
SMILES :C(CO)NC(=O)C(C(C(C(CO)O)O)O)O
cas number :686298-93-1
fema number :4254
jecfa number :1772
molar refractivity :51.78 ± 0.3 cm3
parachor :473.3 ± 4.0 cm3
index of refraction :1.591 ± 0.02
surface tension :91.4 ± 3.0 dyne/cm
density :1.562 ± 0.06 g/cm3
polarizability :20.52 ± 0.5 10-24cm3
XlogP : -4.70
molecular weight : 239.2230800
formula :C8 H17 N O7
BioActivity Analysis :80185
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  		roasted
properties :
appearence :white crystalline powder
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 99.00 to 100.00 °C. @ 760.00 mm Hg
flash point :not determined
logP (o/w) : -3.83
safety :
Oral Toxicity(LD50) :
  Oral-Mouse    4000.00  mg/kg
(Dubois et al., 1992)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for gluconyl ethanolamine 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 on the "LIBRARY" link.
publication number : 23. Update in publication number(s) : 24
 average usual ppmaverage maximum ppm
baked goods : 50.00000200.00000
beverages(nonalcoholic) : 50.00000200.00000
beverages(alcoholic) : 50.00000200.00000
breakfast cereal : 50.00000200.00000
cheese : 50.00000200.00000
chewing gum : 50.00000200.00000
condiments / relishes : 50.00000200.00000
confectionery froastings : 50.00000200.00000
egg products : 50.00000200.00000
fats / oils : 50.00000200.00000
fish products : 50.00000200.00000
frozen dairy : 50.00000200.00000
fruit ices : 50.00000200.00000
gelatins / puddings : 50.00000200.00000
granulated sugar : 50.00000200.00000
gravies : 50.00000200.00000
hard candy : 50.00000200.00000
imitation dairy : 50.00000200.00000
instant coffee / tea : 50.00000200.00000
jams / jellies : 50.00000200.00000
meat products : 50.00000200.00000
milk products : 50.00000200.00000
nut products : 50.00000200.00000
other grains : 50.00000200.00000
poultry : 50.00000200.00000
processed fruits : 50.00000200.00000
processed vegetables : 50.00000200.00000
reconstituted vegetables : 50.00000200.00000
seasonings / flavors : 50.00000200.00000
snack foods : 50.00000200.00000
soft candy : 50.00000200.00000
soups : 50.00000200.00000
sugar substitutes : 50.00000200.00000
sweet sauces : 50.00000200.00000
safety references :
EPI System :view
 
 
 
 2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide
chemidplus :686298-93-1
EPA Substance Registry Services :686298-93-1
dtp/nci :16671
references :
 2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide
jecfa number :1772
pubchem :80185
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 gluconic acid ethanolamine
N-gluconyl ethanolamine
N-(2-hydroxyethyl) gluconamide
N-(2-hydroxyethyl) hexonamide
2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl) hexanamide
2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide
soluble in :
 alcohol, slightly
 water
stability :
(odor and/or flavor) blends with :
5-acetyl-2,3-dihydro-1,4-thiazine
S-allyl-laevo-cysteine
2-butyl-2-butenal
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture
3-(ethyl thio) butanol
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 lactoyl ethanolamine
 lactoyl ethanolamine phosphate
(±)-3-(methyl thio) heptanal
3-(methyl thio) methyl thiophene
2-methyl-1-methyl thio-2-butene
1-phenyl-3(5)-propyl pyrazole
3-isopropenyl pentane dioic acid
 propyl 2-mercaptopropionate
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
2,4,6-trithiaheptane 10% in triacetin
natural occurrence in :
found in nature



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