diacetyl trimer
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :1-(2-acetyl-6a-hydroxy-2,3a,5-trimethyl-6H-furo[4,5-d][1,3]dioxol-5-yl)ethanone
InChI :InChI=1/C12H18O6/c1-7(13)9(3)6-12(15)11(5,16-9)17-10(4,18-12)8(2)14/h15H,6H2,1-5H3
InChIKey :TXTNKDRGVWKECN-UHFFFAOYAZ
SMILES :CC(=O)C1(CC2(C(O1)(OC(O2)(C)C(=O)C)C)O)C
cas number :18114-49-3
fema number :4303
fl. number :06.134
molar refractivity :59.66 ± 0.3 cm3
parachor :525.1 ± 6.0 cm3
index of refraction :1.502 ± 0.02
surface tension :45.7 ± 3.0 dyne/cm
density :1.279 ± 0.06 g/cm3
polarizability :23.65 ± 0.5 10-24cm3
xlogp : -0.50
molecular weight : 258.2677200
formula :C12 H18 O6
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :fatty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
butter
taste description³ :at 1.00 ppm in water.  
fatty oily cream butter sweet vanillin caramel toffee fresh cheese quark
properties : 
Food Chemicals Codex Listed :No
boiling point : 370.00 - 371.00 °C. @ 760.00 mm Hg
logp : 2.90
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 279.00  °F.  TCC  ( 137.22 °C. )
  
recommendation for diacetyl trimer usage levels up to :
  0.0100 % 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.
4303 average usual ppmaverage maximum ppm
baked goods : 20.0000050.00000
beverages(nonalcoholic) : 5.0000010.00000
beverages(alcoholic) : 10.0000020.00000
breakfast cereal : 20.0000050.00000
cheese : 20.00000100.00000
chewing gum : 50.00000200.00000
condiments / relishes : --
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 10.0000050.00000
fish products : --
frozen dairy : 5.0000020.00000
fruit ices : 5.0000010.00000
gelatins / puddings : 10.0000030.00000
granulated sugar : --
gravies : --
hard candy : 10.0000050.00000
imitation dairy : 10.0000050.00000
instant coffee / tea : 10.0000020.00000
jams / jellies : 10.0000050.00000
meat products : --
milk products : 5.0000020.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 20.00000100.00000
snack foods : --
soft candy : 10.0000050.00000
soups : 10.0000050.00000
sugar substitutes : --
sweet sauces : 10.0000050.00000
safety links : 
chemidplus :018114493
epa-srs :18114-49-3
  
other : 
 
references : 
fl. number :06.134
pubchem :770888
  
synonyms :
2,3-butane dione trimer
 diacetyl trimer
2,5-diacetyl-3a,5,6,6a-tetrahydro-6a-hydroxy-2,3a,5-trimethyl furo(2,3-d)-1,3-dioxole
1,1’-(tetrahydro-6a-hydroxy-2,3a,5-trimethyl furo(2,3-d)-1,3-dioxole-2,5-diyl) bisethanone
(odor and/or flavor) blends with :
 acetoin
 acetoin acetate
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl propionyl
 benzyl lactate
 butyl butyryl lactate
 butyl octanoate
 butyl undecylenate
isobutyric acid
 butyric acid
 butyroin
 cinnamyl benzoate
 coffee furanone
gamma-decalactone
6-decenoic acid
 diacetyl
5,5-dibutyl dihydrofuran-2(3H)-one
alpha,alpha-dimethyl anisyl acetone
2,3-dimethyl pyrazine
delta-dodecalactone
 ethyl lactate
2-ethyl pyrazine
 ethyl undecanoate
2,3-heptane dione
(Z)-4-hepten-1-al
3,4-hexane dione
(Z)-3-hexen-1-yl butyrate
1-hydroxy-2-butanone
 jasmin pyranone
 linalyl butyrate
3-methyl butyl 2-furyl butyrate
2-methyl heptanoic acid
3-(methyl thio) hexanal
gamma-nonalactone
1-octen-3-yl butyrate
(E)-2-pentenoic acid
 prenyl isobutyrate
 sodium 4-methyl-2-oxovalerate
3-tetrahydrothiophenone
(E,E)-2,4-undecadien-1-al
 waxy lactone
(odor and/or flavor) used in :
 butter
 butter rum
 butterscotch
 ghee
 milk buttermilk
 rum butter rum
natural occurrence in :
not found in nature



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Html Last modified 07/13/2008