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 (IUPAC)
formula :C8 H17 N S2
NMR Predictor :Predict
 
 
cas number :104691-40-9
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Need This Molecule?:You can contact the Chemical Sources Association and ask the Sourceress.
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
flash point : 260.00  °F.  TCC  ( 126.67 °C. )
logP (o/w) : 2.73
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
 
recommendation for peanut dithiazine fragrance usage levels up to :
 not for fragrance use.
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
Canada Domestic Sub. List :Yes
 
 
 
 
2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
chemidplus :104691410
EPA Substance Registry Services :104691-41-0
 
 
chemidplus :104691409
EPA Substance Registry Services :104691-40-9
references :
 
2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
jecfa number :1047
NIST Chemistry WebBook :1994445831
pubchem :11076987
pubchem :104691-40-9
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 dihydro-2-isopropyl-4,6-dimethyl-4H-1,3,5-dithiazine + dihydro-4-isopropyl-2,6-dimethyl-4H-1,3,5-dithiazine
2,4-dimethyl-6-propan-2-yl-1,3,5-dithiazinane
2(4)-isopropyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
soluble in :
 alcohol
 propylene glycol
insoluble in :
 water
potential blenders :    note
 acetyl acetaldehyde dimethyl acetalFL
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
isoamyl nonanoateFL/FR
isoamyl phenyl acetateFL/FR
alpha-angelica lactoneFL/FR
 bornyl isobutyrateFL/FR
 boronia butenalFR
 butyl 2-methyl butyrateFL/FR
 butyl cinnamateFL/FR
 butyl laurateFL/FR
2-isobutyl-3,(5 and 6)-dimethyl pyrazineFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyramideFL
 cedrenyl acetateFR
 chocolate notes 
 chocolate pyrazine AFL/FR
 cocoa butenalFL/FR
 cocoa hexenalFL/FR
 cocoa oleoresinFL
 cocoa pentenalFL/FR
 cocoa propanalFL
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coumaneFL/FR
para-cresyl laurateFL/FR
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
4,5-dimethyl-2-ethyl thiazoleFL
2,4-dimethyl-5-vinyl thiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
2-ethyl butyraldehydeFL
 ethyl phenyl acetateFL/FR
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-4-butanolFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 fenugreek oleoresinFL
 fenugreek resinoidFL/FR
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
laevo-glutamineCS
 hazelnut notes 
 hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
2-heptyl furanFL
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
4-hydroxybenzoic acidFL
 maraniolCS
 menthofuranFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methoxy-4-vinyl phenolFL/FR
2-methoxypyrazineFL/FR
2-methyl anisoleFL/FR
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL
 methyl ethoxypyrazineFL
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadien-1-alFL
 nutty cyclohexenoneFL/FR
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peanut dithiazineFL
 peanut oxazoleFL
 phenethyl octanoateFL/FR
 phenyl acetaldehydeFL/FR
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl formateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 saffron pyranoneFR
 sandalwood oilFL/FR
 shoyu pyrazineFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5,6-tetramethyl pyrazineFL
(E)-tiglic aldehydeFL/FR
 tobacco butenalFR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,3,5-trimethyl pyrazineFL
2,4,5-trimethyl thiazoleFL/FR
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
gamma-valerolactoneFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
potential uses :
 arnica
 bean locust bean
 chestnut blossom
 chocolate
 chocolate cacao
 chocolate cocoa
 coconut
 coconut tropical coconut
 mace
 nut
 nut almond
 nut cashew
 nut filbert
 nut hazelnut
 nut macadamia
 nut peanut
 nut peanut butter
 nut pecan
 nut pistachio
 nut roasted
 nut sesame
 nut walnut
 nutmeg
 pina colada
 praline
natural occurrence in :    note
 found in nature  

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