peanut dithiazine
 
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IUPAC name :2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
InChI :InChI=1/C8H17NS2/c1-5(2)8-9-6(3)10-7(4)11-8/h5-9H,1-4H3
InChIKey :NOOYZCFJVKLILW-UHFFFAOYAY
SMILES :CC1NC(SC(S1)C)C(C)C
cas number :104691-41-0
fema number :3782
jecfa number :1047
molar refractivity :56.78 ± 0.3 cm3
parachor :445.7 ± 6.0 cm3
index of refraction :1.498 ± 0.02
surface tension :28.1 ± 3.0 dyne/cm
density :0.988 ± 0.06 g/cm3
polarizability :22.51 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 191.3572800
formula :C8 H17 N S2
 
 
cas number :104691-40-9
 
 
export tariff code :unspecified
fda reg :unspecified
 
organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  		peanut meaty cocoa
properties :
appearence :colorless to pale yellow clear liquid
assay : 70.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 104.00 to 115.00 °C. @ 1.70 mm Hg
boiling point : 285.00 to 286.00 °C. @ 760.00 mm Hg
logp : 2.73
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
flash point ( Deg. F. ) : 260.00  °F.  TCC  ( 126.67 °C. )
recommendation for peanut dithiazine usage levels up to :
  0.1000 % in the fragrance concentrate.
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-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
chemidplus :104691-41-0
EPA Substance Registry Services :104691-41-0
NLM Chemical Carcinogenesis Research Information System :104691-41-0
NLM Developmental and Reproductive Toxicity :104691-41-0
NLM Env. Mutagen Info. Center :104691-41-0
NLM GENetic TOXicology :104691-41-0
 
 
chemidplus :104691-40-9
EPA Substance Registry Services :104691-40-9
NLM Chemical Carcinogenesis Research Information System :104691-40-9
NLM Developmental and Reproductive Toxicity :104691-40-9
NLM Env. Mutagen Info. Center :104691-40-9
NLM GENetic TOXicology :104691-40-9
references :
 2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
jecfa number :1047
pubchem :11076987
NIST Chemistry WebBook :1994445831
pubchem :104691-40-9
other :
synonyms :
 dihydro-2-isopropyl-4,6-dimethyl-4H-1,3,5-dithiazine + dihydro-4-isopropyl-2,6-dimethyl-4H-1,3,5-dithiazine
 peanut dithiazine
2(4)-isopropyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
soluble in :
 alcohol
 propylene glycol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl acetaldehyde dimethyl acetal
2-acetyl furan
 acetyl propionyl
2-acetyl pyrazine
3-acetyl pyridine
2-acetyl pyrrole
 acetyl pyrroline
2-acetyl thiazole
2-acetyl-2-thiazoline
5-acetyl-2,3-dihydro-1,4-thiazine
3-acetyl-2,5-dimethyl furan
2-acetyl-3-ethyl pyrazine
2-acetyl-3-methyl pyrazine
2-acetyl-3,5-dimethyl pyrazine
2-acetyl-5-methyl furan
 amyl cinnamate
isoamyl cinnamate
isoamyl nonanoate
isoamyl phenyl acetate
alpha-angelica lactone
 bornyl isobutyrate
 boronia butenal
 butyl 2-methyl butyrate
 butyl cinnamate
 butyl laurate
2-isobutyl-3,(5 and 6)-dimethyl pyrazine
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
 butyramide
 cedrenyl acetate
 chocolate notes
 chocolate pyrazine A
 cocoa butenal
 cocoa hexenal
 cocoa oleoresin
 cocoa pentenal
 cocoa propanal
3,6-cocoa pyrazine
 coconut absolute
 coumane
para-cresyl laurate
 cyclohexyl methyl pyrazine
2,5-diethyl thiazole
3,5-diethyl-2-methyl pyrazine
2,5-diethyl-3-methyl pyrazine
2,5-diethyl-4-methyl thiazole
 difurfuryl ether
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
 dimethyl dihydrocyclopentapyrazine
2,3-dimethyl pyrazine
2,5-dimethyl pyrazine
2,6-dimethyl pyrazine
2,6-dimethyl pyridine
2,5-dimethyl thiazole
4,5-dimethyl thiazole
2,5-dimethyl thiophene
4,5-dimethyl-2-ethyl thiazole
2,4-dimethyl-5-vinyl thiazole
 ethyl 2-hydroxy-2-methyl butyrate
2-ethyl butyraldehyde
 ethyl phenyl acetate
2-ethyl pyrazine
1-ethyl-2-acetyl pyrrole
5-ethyl-2-methyl pyridine
2-ethyl-3-methoxypyrazine
2-ethyl-4-butanol
2-ethyl-4-methyl thiazole
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 fenugreek oleoresin
 fenugreek resinoid
 filbert heptenone
 filbert pyrazine
 furfuryl thioacetate
3-(2-furyl) acrolein
laevo-glutamine
 hazelnut notes
 hazelnut oleoresin
 hazelnut pyrazine
(E,E)-2,4-heptadien-1-ol
gamma-heptalactone
2-heptyl furan
2,4-hexadien-1-ol
3,4-hexane dione
2-hexyl-5 or 6-keto-1,4-dioxane
4-hydroxybenzoic acid
 maraniol
 menthofuran
2-methoxy-3-methyl pyrazine
2-methoxy-4-vinyl phenol
2-methoxypyrazine
2-methyl anisole
para-methyl anisole
2-methyl butyraldehyde
 methyl ethoxypyrazine
2-methyl pyrazine
2-methyl quinoxaline
5-methyl quinoxaline
4-methyl thiazole
2-methyl thio-3,5 or 6-methyl pyrazine
2-(methyl thio) acetaldehyde
 methyl valerate
3-methyl-2-buten-1-al
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-propyl pyrazine
2-methyl-3,(5 or 6)-ethoxypyrazine
2-methyl-5-isopropyl pyrazine
(E,E)-2,4-nonadien-1-al
 nutty cyclohexenone
 nutty pyrazine
 nutty quinoxaline
 nutty thiazole
 peanut dithiazine
 peanut oxazole
 phenethyl octanoate
 phenyl acetaldehyde
2-propionyl thiazole
2-propionyl-2-thiazoline
 propyl benzoate
isopropyl formate
isopropyl pyrazine
2-propyl pyridine
 saffron pyranone
 sandalwood oil
 shoyu pyrazine
 sulfuryl butyrate
 sulfuryl decanoate
 sulfuryl formate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
2,3,5,6-tetramethyl pyrazine
(E)-tiglic aldehyde
 tobacco butenal
 tonka bean absolute
 tonka bean resinoid
2,3,5-trimethyl pyrazine
2,4,5-trimethyl thiazole
 valeraldehyde
 valeraldehyde dibutyl acetal
 valeraldehyde propylene glycol acetal
gamma-valerolactone
2-vinyl pyrazine
 vinyl sulfurol
 whiskey lactone
(odor and/or flavor) used in :
 chocolate
 nut peanut
natural occurrence in :
found in nature



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