ethyl 2-hydroxy-3-methyl valerate
 
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InChI :InChI=1/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3
InChIKey :TXLBCYISDOYPIH-UHFFFAOYAW
SMILES :CC(CC)C(O)C(=O)OCC
cas number :24323-38-4
fema number :4269
jecfa number :1652
molar refractivity :42.33 ± 0.3 cm3
parachor :386.6 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.986 ± 0.06 g/cm3
polarizability :16.78 ± 0.5 10-24cm3
molecular weight : 160.2108400
formula :C8 H16 O3
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fruity berry
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92200 - 0.93000 @ 25.00 °C.
pounds per gallon - calc. : 7.672 to 7.739
refractive index :1.42200 - 1.42900 @ 20.00 °C.
boiling point : 204.00 - 206.00 °C. @ 760.00 mm Hg
logp : 1.22
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 165.00  °F.  TCC  ( 73.89 °C. )
  
recommendation for ethyl 2-hydroxy-3-methyl valerate usage levels up to :
  3.0000 % in the fragrance concentrate.
  
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).
publication number : 23.
4269 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 10.0000025.00000
beverages(alcoholic) : 10.0000025.00000
breakfast cereal : 10.0000030.00000
cheese : --
chewing gum : 20.00000100.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 5.0000020.00000
fruit ices : 5.0000020.00000
gelatins / puddings : 10.0000025.00000
granulated sugar : --
gravies : --
hard candy : 20.0000050.00000
imitation dairy : --
instant coffee / tea : 10.0000025.00000
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : 5.0000020.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 10.0000025.00000
soups : --
sugar substitutes : --
sweet sauces : --
safety links : 
chemidplus :24323-38-4
epa-srs :24323-38-4
  
other : 
 
references : 
pubchem :24323-38-4
  
synonyms :
 ethyl 2-ethyl lactate
 ethyl 2-hydroxy-3-methyl valerate
(±)-ethyl 2-hydroxy-3-methyl valerate
2-hydroxy-3-methyl pentanoic acid ethyl ester
soluble in :
 water, very slightly
stability :
(odor and/or flavor) used in :
 berry
 fruity
natural occurrence in :
data pagechampaca concrete @ 0.01%



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Html Last modified 06/12/2008