2,4,6-trithiaheptane 10% in triacetin
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IUPAC name :methylsulfanyl-(methylsulfanylmethylsulfanyl)methane
InChI :InChI=1/C4H10S3/c1-5-3-7-4-6-2/h3-4H2,1-2H3
InChIKey :PQFOEUXAUYRCAY-UHFFFAOYAP
SMILES :CSCSCSC
cas number :6540-86-9
fema number :4214
jecfa number :1684
fl. number :12.240
molar refractivity :44.57 ± 0.3 cm3
parachor :343.2 ± 4.0 cm3
index of refraction :1.566 ± 0.02
surface tension :40.0 ± 3.0 dyne/cm
density :1.130 ± 0.06 g/cm3
polarizability :17.66 ± 0.5 10-24cm3
molecular weight : 154.3172000 (IUPAC)
formula :C4 H10 S3
NMR Predictor :Predict
 
 
IUPAC name :1,3-diacetyloxypropan-2-yl acetate
InChI :InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChIKey :URAYPUMNDPQOKB-UHFFFAOYAH
SMILES :CC(=O)OCC(COC(=O)C)OC(=O)C
cas number :102-76-1
(EINECS) number :203-051-9
fema number :2007
jecfa number :920
molar refractivity :49.02 ± 0.3 cm3
parachor :461.7 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :36.4 ± 3.0 dyne/cm
density :1.161 ± 0.06 g/cm3
polarizability :19.43 ± 0.5 10-24cm3
XlogP : 0.30
molecular weight : 218.2038600 (IUPAC)
formula :C9 H14 O6
BioActivity Analysis :71024
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Endeavour :2,4,6-Trithiaheptane
97%
organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.01 % solution or less
odor description:
at 0.01 % in propylene glycol.  		sulfurous cooked roasted
properties :
appearence :colorless to pale yellow clear liquid
assay : 10.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 250.00 to 255.00 °C. @ 760.00 mm Hg
flash point : 199.00  °F.  TCC  ( 92.78 °C. )
logP (o/w) : 2.29
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 2,4,6-trithiaheptane 10% in triacetin fragrance 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 : 22
 average usual ppmaverage maximum ppm
baked goods : 0.200002.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : 0.050000.50000
chewing gum : --
condiments / relishes : 0.050000.50000
confectionery froastings : --
egg products : --
fats / oils : 0.100001.00000
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : 0.100001.00000
hard candy : --
imitation dairy : 0.100001.00000
instant coffee / tea : --
jams / jellies : --
meat products : 0.050000.50000
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : 0.050000.50000
reconstituted vegetables : 0.050000.50000
seasonings / flavors : 0.500005.00000
snack foods : 0.100001.00000
soft candy : --
soups : 0.050000.50000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
 
 
 
 
methylsulfanyl-(methylsulfanylmethylsulfanyl)methane
chemidplus :6540-86-9
EPA Substance Registry Services :6540-86-9
dtp/nci :710986
 
 
 
1,3-diacetyloxypropan-2-yl acetate
(EINECS) number :203-051-9
RTECS :AK3675000 for cas# 102-76-1
chemidplus :000102761
EPA Substance Registry Services :102-76-1
dtp/nci :4796
references :
 
methylsulfanyl-(methylsulfanylmethylsulfanyl)methane
fl. number :12.240
jecfa number :1684
pubchem :531087
 
1,3-diacetyloxypropan-2-yl acetate
jecfa number :920
NIST Chemistry WebBook :3711108957
pubchem :150700
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
bis-methyl sulfanyl methyl sulfide 10% in triacetin
bis-(methyl sulfanyl methyl) sulfide 10% in triacetin
bis-(methyl thiomethyl) sulfide 10% in triacetin
 methylsulfanyl-(methylsulfanylmethylsulfanyl)methane
soluble in :
 alcohol
 triacetin
insoluble in :
 water
potential blenders :
 acetyl ethyl carbinolFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
S-allyl-laevo-cysteineFL
(E)-benzyl tiglateFL/FR
1,2-butane dithiolFL
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
2-butyl-2-butenalFL
(E)-2-decen-1-alFL/FR
1-decen-3-olFL/FR
 dibenzyl etherFL/FR
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixtureFL
 dimethyl sulfoxideFL
 dimethyl trisulfideFL
6,8-dimethyl-2-nonanolFR
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2-ethyl benzene thiolFL
3-(ethyl thio) butanolFL/FR
5-ethyl-2-methyl pyridineFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 furfuryl mercaptanFL/FR
 herbal pyranFR
(Z)-3-hexen-1-yl tiglateFL/FR
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
 leaf acetalFL/FR
 melon acetalFL/FR
(R*,S*)-2-mercapto-3-butanolFL
2-mercaptopropionic acidFL
 methyl 2-furoateFL/FR
 methyl laurateFL/FR
(±)-3-(methyl thio) heptanalFL
tris(methyl thio) methaneFL/FR
3-(methyl thio) methyl thiopheneFL
1-(methyl thio)-2-butanoneFL
 methyl thiol isovalerateFL
2-methyl-1-methyl thio-2-buteneFL
2-naphthyl mercaptanFL
(Z)-3-nonen-1-olFL/FR
1-nonen-3-olFL/FR
 nonyl octanoateFL/FR
1,8-octane dithiolFL
3-octanolFL/FR
3-octanoneFL/FR
3-octen-2-olFL/FR
(3R)-1-octen-3-olFL/FR
1-octen-3-oneFL/FR
1-octen-3-yl butyrateFL/FR
2-octen-4-oneFL/FR
 octyl 2-furoateFL
 octyl acetateFL/FR
 octyl propionateFL/FR
(E)-2-penten-1-olFL/FR
2-pentyl-1-buten-3-oneFL
 phenethyl butyl etherFR
 phenethyl furoateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
1-phenyl-3(5)-propyl pyrazoleFL
3-isopropenyl pentane dioic acidFL
 propyl 2-mercaptopropionateFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
potential uses :
 meat
 mushroom
natural occurrence in :
 truffle white truffle  



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