gluconyl ethanolamine phosphate
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IUPAC name :(1Z,2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[2-(phosphonooxy)ethyl]hexanimidic acid
InChI :InChI=1/C8H18NO10P/c10-3-4(11)5(12)6(13)7(14)8(15)9-1-2-19-20(16,17)18/h4-7,10-14H,1-3H2,(H,9,15)(H2,16,17,18)/t4-,5+,6+,7-/m1/s1
InChIKey :JNXDTQSHHDGYGF-JRTVQGFMBU
SMILES :O=P(O)(O)OCCNC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
cas number :791807-20-0
fema number :4255
jecfa number :1773
molar refractivity :58.38 ± 0.5 cm3
parachor :525.4 ± 8.0 cm3
index of refraction :1.608 ± 0.05
surface tension :94.1 ± 7.0 dyne/cm
density :1.89 ± 0.1 g/cm3
polarizability :23.14 ± 0.5 10-24cm3
molecular weight : 319.2029820
formula :C8 H18 N O10 P
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 : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 138.00 to 139.00 °C. @ 760.00 mm Hg
flash point :not determined

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for gluconyl ethanolamine phosphate 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
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : 5.0000015.00000
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 5.0000015.00000
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000015.00000
snack foods : 5.0000015.00000
soft candy : --
soups : 5.0000015.00000
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 
 (1Z,2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[2-(phosphonooxy)ethyl]hexanimidic acid
chemidplus :791807-20-0
EPA Substance Registry Services :791807-20-0

references :
 (1Z,2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[2-(phosphonooxy)ethyl]hexanimidic acid
jecfa number :1773
pubchem :791807-20-0

other :
synonyms :
 gluconic acid ethanolamine phosphate
N-gluconyl ethanolamine phosphate
N-(2-hydroxyethyl) hexonamide phosphate
2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide phosphate
(1Z,2R,3S,4S,5R)-2,3,4,5,6-pentahydroxy-N-[2-(phosphonooxy)ethyl]hexanimidic acid
2-((2,3,4,5,6-pentahydroxyhexanoyl)amino)ethyl dihydrogen phosphate
N-(2-(phosphonooxy)ethyl) dextro-galactonamide

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 :
not found in nature



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