2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)
 
Notes:
Used as a food additive [EAFUS] Isol. from dried squid aroma Isol. from dried squid aroma
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      Product(s):
      09-40000 2(4)-ISOBUTYL-4(2)-6-DIMETHYLDIHYDRO(4H)-1,3,5-DITHIAZINE
       
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CAS Number: 101517-87-7Picture of molecule3D/inchi
FDA UNII: YOR3E7P831
MDL: MFCD10000649
XlogP3-AA: 3.80 (est)
Molecular Weight: 205.38743000
Formula: C9 H19 N S2
NMR Predictor: Predict (works with chrome or firefox)
CAS Number: 101517-86-6Picture of molecule3D/inchi
FDA UNII: ES2CZM828N
Molecular Weight: 205.38743000
Formula: C9 H19 N S2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: At least 64 % 2-isobutyl-4,6-dimethyl and 18 % 4-Isobutyl-2,6-dimethyl; sec. components at least 13 % 2,4,6-trimethyl-; 2,4-diisobutyl-6-methyl-; 2,6-dimethyl-4-butyldihydro-1,3,5-dithiazine; substituted 1,3,5-thiadiazine.(EFFA, 2011h). Mixture of diastereoisomers, each of them racemic (EFFA,2013b). At least 64 % 2-isobutyl-4,6-dimethyl and 18 % 4-Isobutyl-2,6-dimethyl; secondary components at least 13%: 2,4,6-trimethyl-; 2,4-diisobutyl-6-methyl-; 2,6-dimethyl-4-butyldihydro-1,3,5-dithiazine; substituted 1,3,5-thiadiazine (EFFA, 2011c).
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1046  2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)
DG SANTE Food Flavourings: 15.079  2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)
FEMA Number: 3781
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):977161-98-0 ; 2(4)-ISOBUTYL-4(2),6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 82.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.96100 to 0.96700 @  25.00 °C.
Pounds per Gallon - (est).: 7.996 to  8.046
Refractive Index: 1.48800 to 1.49200 @  20.00 °C.
Boiling Point: 104.00 to  115.00 °C. @ 2.50 mm Hg
Boiling Point: 298.00 to  300.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 278.00 °F. TCC ( 136.67 °C. )
logP (o/w): 1.896 (est)
Soluble in:
 alcohol
 water, 1562 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: nutty
 
 roasted  cocoa  peanut  nutty  
Odor Description:
at 0.10 % in dipropylene glycol. 
roasted cocoa peanut
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Carbosynth
For experimental / research use only.
2(4)-isoButyl-4(2),6-dimethyldihydro-4H-1,3,5-dithiazine
Parchem
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
Penta International
2(4)-ISOBUTYL-4(2)-6-DIMETHYLDIHYDRO(4H)-1,3,5-DITHIAZINE
Tengzhou Xiang Yuan Aroma Chemicals
2.(4)Isobutyl-4(2).6-Dimethyl-1.3.5-Dithiazine
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): .10 (μg/capita/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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 Flavor Ingredient Library
publication number: 16
Click here to view publication 16
 average usual ppmaverage maximum ppm
baked goods: 0.500005.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.500005.00000
cheese: --
chewing gum: 1.0000020.00000
condiments / relishes: --
confectionery froastings: 0.500005.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500005.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.500005.00000
milk products: 0.500001.00000
nut products: 0.500005.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 0.500005.00000
soft candy: 0.500005.00000
soups: 0.100002.00000
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 529056
National Institute of Allergy and Infectious Diseases: Data
 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
Chemidplus: 0101517877
 2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane
Chemidplus: 0101517866
Synonyms   Articles   Notes   Search   Top
References:
 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 529056
Pubchem (sid): 11076991
 2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 71587382
Pubchem (sid): 163641164
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB40335
FooDB: FDB020060
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
balsamic
2-acetyl furanFL/FR
isoamyl cinnamateFL/FR
 amyl cinnamateFL/FR
 butyl cinnamateFL/FR
 propyl benzoateFL/FR
buttery
 acetyl propionylFL/FR
3,4-hexane dioneFL/FR
camphoreous
 bornyl isobutyrateFL/FR
caramellic
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 fenugreek oleoresinFL/FR
chocolate
isoamyl phenyl acetateFL/FR
 chocolate pyrazine AFL/FR
 cocoa hexenalFL/FR
 cocoa oleoresinFL/FR
 cocoa pentenalFL/FR
2,6-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methoxypyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
cocoa
2-isobutyl-3,5-(and 3,6)-dimethyl pyrazineFL/FR
2-methyl butyraldehydeFL/FR
 theobroma cacao extractFL/FR
coconut
alpha-angelica lactoneFL/FR
gamma-heptalactoneFL/FR
coumarinic
 coumaneFL/FR
earthy
2-ethyl-3-methoxypyrazineFL/FR
 nutty pyrazineFL/FR
isopropyl formateFL/FR
fatty
 coconut absoluteFL/FR
fermented
3-methyl-1-pentanolFL/FR
 valeraldehydeFL/FR
floral
para-cresyl laurateFL/FR
 ethyl phenyl acetateFL/FR
fruity
isoamyl nonanoateFL/FR
 butyl 2-methyl butyrateFL/FR
 cherry oxyacetateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
2-heptyl furanFL/FR
 phenyl acetaldehydeFL/FR
 tiglaldehydeFL/FR
herbal
gamma-valerolactoneFL/FR
musty
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
 cocoa butenalFL/FR
 hazelnut pyrazineFL/FR
 menthofuranFL/FR
naphthyl
ortho-methyl anisoleFL/FR
para-methyl anisoleFL/FR
nutty
3-acetyl pyridineFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
3,6-cocoa pyrazineFL/FR
3,5-cocoa pyrazineFL/FR
2,3-dimethyl pyrazineFL/FR
2-ethyl pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
2,6-lutidineFL/FR
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 shoyu pyrazineFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
 vinyl sulfurolFL/FR
popcorn
2-acetyl pyrazineFL/FR
2-acetyl thiazoleFL/FR
roasted
2-acetyl-2-pyrroline 
 fenugreek resinoidFL/FR
 trigonella foenum-graecum seed oil CO2 extractFL/FR
spicy
3-(2-furyl) acroleinFL/FR
 furfuryl thioacetateFL/FR
tonka
 whiskey lactoneFL/FR
waxy
 butyl laurateFL/FR
 phenethyl octanoateFL/FR
woody
2-methoxy-4-vinyl phenolFL/FR
 sandalwood oilFL/FR
 
For Flavor
 
No flavor group found for these
 acetyl acetaldehyde dimethyl acetalFL
2-acetyl-2-pyrroline 
 bornyl isobutyrateFL/FR
 butyl cinnamateFL/FR
2-isobutyl-3,5-(and 3,6)-dimethyl pyrazineFL/FR
 butyramideFL
 chocolate pyrazine AFL/FR
 coumaneFL/FR
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
2,5-diethyl-4-methyl thiazoleFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl-2-ethyl thiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl dimethyl pyrazineFL
2-ethyl-3-methoxypyrazineFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
3-(2-furyl) acroleinFL/FR
(E,E)-2,4-heptadien-1-olFL
2-hexyl-5 or 6-keto-1,4-dioxaneFL
2-methoxypyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
 peanut dithiazineFL
2-propyl pyridineFL
para-salicylic acidFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 valeraldehyde propylene glycol acetalFL/FR
5-acetyl-2,3-dihydro-1,4-thiazineFL
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 valeraldehyde dibutyl acetalFL/FR
alliaceous
2-methyl thioacetaldehydeFL
balsamic
 amyl cinnamateFL/FR
bitter
 methyl ethoxypyrazineFL
bready
2-propionyl thiazoleFL
brown
 fenugreek oleoresinFL/FR
burnt
2-methyl quinoxalineFL
buttery
3,4-hexane dioneFL/FR
camphoreous
ortho-methyl anisoleFL/FR
caramellic
 fenugreek resinoidFL/FR
chocolate
 cocoa oleoresinFL/FR
 cocoa propanalFL
cocoa
 cocoa distillatesFL
 cocoa hexenalFL/FR
 theobroma cacao extractFL/FR
coffee
 difurfuryl etherFL
2-ethyl-4-methyl thiazoleFL/FR
2-isopropyl pyrazineFL
corn chip
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
creamy
alpha-angelica lactoneFL/FR
earthy
2-methyl-3-propyl pyrazineFL/FR
fatty
 coconut absoluteFL/FR
2-heptyl furanFL/FR
(E,E)-2,4-nonadienalFL
fishy
4,5-dimethyl thiazoleFL
floral
isoamyl cinnamateFL/FR
isoamyl phenyl acetateFL/FR
 cocoa pentenalFL/FR
fruity
 butyl 2-methyl butyrateFL/FR
 cherry oxyacetateFL/FR
2,4-hexadien-1-olFL
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 phenethyl octanoateFL/FR
 propyl benzoateFL/FR
isopropyl formateFL/FR
 tiglaldehydeFL/FR
fusel
2-methyl butyraldehydeFL/FR
green
 cocoa butenalFL/FR
2,5-dimethyl thiopheneFL
2-ethyl butyraldehydeFL
4-methyl thiazoleFL
2-methyl-5-isopropyl pyrazineFL
2-vinyl pyrazineFL
honey
 ethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
lactonic
gamma-heptalactoneFL/FR
meaty
2,6-dimethyl pyrazineFL/FR
musty
2,5-dimethyl pyrazineFL/FR
 hazelnut pyrazineFL/FR
 menthofuranFL/FR
 shoyu pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
naphthyl
para-methyl anisoleFL/FR
nutty
2-acetyl furanFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
3,5-cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,3-dimethyl pyrazineFL/FR
2,4-dimethyl-5-vinyl thiazoleFL
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
european hazelnut oleoresinFL
2,6-lutidineFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 nutty cyclohexenoneFL/FR
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peanut oxazoleFL
2,3,5,6-tetramethyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
 vinyl sulfurolFL/FR
popcorn
2-propionyl-2-thiazolineFL
roasted
2-acetyl pyrazineFL/FR
 furfuryl thioacetateFL/FR
 trigonella foenum-graecum seed oil CO2 extractFL/FR
smoky
2-methoxy-4-vinyl phenolFL/FR
toasted
 acetyl propionylFL/FR
tonka
gamma-valerolactoneFL/FR
waxy
 butyl laurateFL/FR
para-cresyl laurateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
isoamyl nonanoateFL/FR
5-ethyl-2-methyl pyridineFL
 valeraldehydeFL/FR
woody
 sandalwood oilFL/FR
 whiskey lactoneFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 chocolateFL
 peanutFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 squid dried squid
Search  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
2-isobutyl-4,6-dimethyl-1,3,5-dithiazinane
2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)
2-isobutyl-4,6-dimethyldihydro-4h-1,3,5-dithiazine
2(4)-isobutyl-4(2)-6-dimethyldihydro(4H)-1,3,5-dithiazine
2(4)-isobutyl-4(2),6-dimethyldihydro-4H-1,3,5-dithiazine
 dihydro-2-isobutyl-4,6-dimethyl-4H-1,3,5-dithiazine + dihydro-6-isobutyl-2,4-dimethyl-4H-1,3,5-dithiazine
4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane
 dimethylisobutyldihydro-1,3,5-dithiazine
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Articles:
 None found yet.
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