sulfuryl decanoate
 
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IUPAC name :2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate
InChI :InChI=1/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3
InChIKey :RUOLKIITSCGKJQ-UHFFFAOYAZ
SMILES :Cc1ncsc1CCOC(=O)CCCCCCCCC
cas number :101426-31-7
fema number :4281
jecfa number :1757
molar refractivity :85.20 ± 0.3 cm3
parachor :721.3 ± 4.0 cm3
index of refraction :1.499 ± 0.02
surface tension :38.4 ± 3.0 dyne/cm
density :1.026 ± 0.06 g/cm3
polarizability :33.77 ± 0.5 10-24cm3
molecular weight : 297.4560800
formula :C16 H27 O2 N S
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
roasted nutty
properties : 
appearence :colorless to yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01200 - 1.01800 @ 25.00 °C.
pounds per gallon - calc. : 8.421 to 8.471
refractive index :1.48600 - 1.49200 @ 20.00 °C.
boiling point : 177.00 - 179.00 °C. @ 1.50 mm Hg
boiling point : 391.00 - 393.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 5.23
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 380.00  °F.  TCC  ( 193.33 °C. )
  
recommendation for sulfuryl decanoate usage levels up to :
  0.0500 % 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.
4281 average usual ppmaverage maximum ppm
baked goods : 5.0000045.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : 1.000004.80000
frozen dairy : --
fruit ices : 1.000003.80000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
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 : 20.0000032.00000
soups : 0.800000.80000
sugar substitutes : --
sweet sauces : --
safety links : 
chemidplus :101426-31-7
epa-srs :101426-31-7
  
other : 
 
references : 
jecfa number :1757
pubchem :101426-31-7
  
synonyms :
2-(4-methyl thiazol-5-yl) ethyl decanoate
2-(4-methyl-5-thiazolyl) ethyl decanoate
2-(4-methyl-5-thiazolyl)ethyl decanoate
 sulfuryl decanoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl pyrroline
2-acetyl-3-methyl pyrazine
3,6-cocoa pyrazine
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
 dimethyl dihydrocyclopentapyrazine
2,5-dimethyl thiazole
4,5-dimethyl thiazole
 filbert heptenone
 furfuryl thioacetate
2-heptyl furan
 nutty quinoxaline
2-propionyl-2-thiazoline
 sulfuryl butyrate
 sulfuryl formate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
natural occurrence in :
not found in nature



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