thialdine
 
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IUPAC name :2,4,6-trimethyl-1,3,5-dithiazinane
InChI :InChI=1/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3
InChIKey :FBMVFHKKLDGLJA-UHFFFAOYAO
SMILES :CC1NC(SC(S1)C)C
(EINECS) number :211-323-3
cas number :638-17-5
fema number :4018
jecfa number :1049
fl. number :15.109
molar refractivity :47.63 ± 0.3 cm3
parachor :382.0 ± 4.0 cm3
index of refraction :1.501 ± 0.02
surface tension :31.3 ± 3.0 dyne/cm
density :1.011 ± 0.06 g/cm3
polarizability :18.88 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 163.3041200
formula :C6 H13 N S2
BioActivity Analysis :67327
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Fontarome Chemical :THIALDINE

organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in propylene glycol.  
roasted meaty

properties :
appearence :pale brownish yellow crystals
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 46.00 to 48.00 °C. @ 760.00 mm Hg
boiling point : 260.00 to 261.00 °C. @ 760.00 mm Hg
logp : 1.85

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :3.30 (μg/capita/day)
flash point ( Deg. F. ) : 232.00  °F.  TCC  ( 111.11 °C. )
recommendation for thialdine 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).
publication number : 20.
 average usual ppmaverage maximum ppm
baked goods : 8.0000016.00000
beverages(nonalcoholic) : 3.000006.00000
beverages(alcoholic) : --
breakfast cereal : 0.070000.35000
cheese : --
chewing gum : 10.0000020.00000
condiments / relishes : 3.000006.00000
confectionery froastings : --
egg products : 4.000008.00000
fats / oils : 0.350003.50000
fish products : 0.350003.50000
frozen dairy : 4.000008.00000
fruit ices : 3.000006.00000
gelatins / puddings : 3.000006.00000
granulated sugar : --
gravies : 4.000008.00000
hard candy : 5.0000010.00000
imitation dairy : 3.000006.00000
instant coffee / tea : --
jams / jellies : --
meat products : 3.000006.00000
milk products : 3.000006.00000
nut products : --
other grains : --
poultry : 0.200002.00000
processed fruits : --
processed vegetables : 0.200002.00000
reconstituted vegetables : 0.200002.00000
seasonings / flavors : 200.00000500.00000
snack foods : 3.000006.00000
soft candy : 4.000008.00000
soups : 4.000008.00000
sugar substitutes : --
sweet sauces : --

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 2,4,6-trimethyl-1,3,5-dithiazinane
(EINECS) number :211-323-3
chemidplus :000638175
EPA Substance Registry Services :638-17-5
NLM Chemical Carcinogenesis Research Information System :638-17-5
NLM Developmental and Reproductive Toxicity :638-17-5
NLM Env. Mutagen Info. Center :638-17-5
NLM GENetic TOXicology :638-17-5
dtp/nci :418

references :
 2,4,6-trimethyl-1,3,5-dithiazinane
jecfa number :1049
fl. number :15.109
pubchem :155841
NIST Chemistry WebBook :655394133

other :
synonyms :
5,6-dihydro-2,4,6-trimethyl-1,3,5-dithiazine
(2-alpha,4-alpha,6-alpha)-dihydro-2,4,6-trimethyl-4H-1,3,5-dithiazine
 thialdine
2,4,6-trimethyl dihydro-1,3,5(4H)-dithiazine

soluble in :
 alcohol
 water, 7000 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
2,6-dimethyl thiophenol
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,5-dimethyl-3-thiofuroyl furan
1,1-ethane dithiol 1% in ethanol
2-mercapto-3-pentanone
2-methyl-1-methyl thio-2-butene
2-methyl-3-(methyl thio) pyrazine
bis(2-methyl-3-furyl) disulfide
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
 nutty thiazole
 propyl 2-mercaptopropionate
2-pyridinyl methane thiol
 roasted butanol

(odor and/or flavor) used in :
 meat

natural occurrence in :
found in nature



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