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3,6-dimethyl-1,2,4,5-tetrathiane
1,2,4,5-tetrathiane, 3,6-dimethyl-

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Name:3,6-dimethyl-1,2,4,5-tetrathiane
CAS Number: 67411-27-2Picture of molecule3D/inchi
FDA UNII:2910Y955PI
Nikkaji Web:J641.812K
XlogP3-AA:2.40 (est)
Molecular Weight:184.36776000
Formula:C4 H8 S4
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn in Register does not specify stereoisomeric composition. Mixture of diastereoisomers (EFFA., 2010a). Composition of stereoisomeric mixture: 50 % cis and 50 % trans (EFFA, 2012j).
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
FLAVIS Number:15.056 (Old)
DG SANTE Food Flavourings:15.056 3,6-dimethyl-1,2,4,5-tetrathiane
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 198.00 °C. @ 760.00 mm Hg
Boiling Point: 270.00 to 272.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 264.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.010000 mm/Hg @ 25.00 °C. (est)
Flash Point: 257.00 °F. TCC ( 125.00 °C. )
logP (o/w): 4.764 (est)
Soluble in:
 alcohol
 water, 107.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 3,6-dimethyl-1,2,4,5-tetrathiane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0024 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.30000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
 
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 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :526613
National Institute of Allergy and Infectious Diseases:Data
3,6-dimethyl-1,2,4,5-tetrathiane
 
References:
 3,6-dimethyl-1,2,4,5-tetrathiane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):526613
Pubchem (sid):11078026
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
propyl mercaptan
FL/FR
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
terpinyl cinnamate
FL/FR
caramellic
diethyl malate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
creamy
2,3-
butane diol
FR
earthy
amyl octanoate
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
dimethyl anthranilate
FL/FR
fruity
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl sebacate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl heptanoate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
propyl heptanoate
FL/FR
sorbyl butyrate
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
herbal
iso
amyl tiglate
FL/FR
ethyl chrysanthemate
FR
phenethyl senecioate
FL/FR
honey
methyl hydrocinnamate
FL/FR
meaty
meaty dithiane
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
3-(
methyl thio) hexanol
FL/FR
onion oil
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
butyl angelate
FL/FR
iso
butyraldehyde propylene glycol acetal
FL
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
diethyl trisulfide
FL
diisopropyl sulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
ethyl aconitate
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
heptyl mercaptan
FL
2-
hexanol
FL/FR
methyl hydrocinnamate
FL/FR
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butanol
FL/FR
phenethyl senecioate
FL/FR
propenyl propyl disulfide
FL
iso
propyl disulfide
FL
sorbyl propionate
FL
2,3,5-
trithiahexane
FL
alliaceous
alliaceous
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
diethyl disulfide
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
3-
mercapto-2-methyl pentanol
FL
3-
mercapto-2-pentanone
FL
methyl 3-mercaptobutanoate
FL
2-
methyl thioacetaldehyde
FL
propyl mercaptan
FL/FR
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
cabbage
methyl 2-thiofuroate
FL
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
ethereal
iso
butyl alcohol
FL/FR
fatty
iso
amyl laurate
FL/FR
methyl decanoate
FL/FR
fruity
iso
amyl acetoacetate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl heptanoate
FL/FR
hexyl phenyl acetate
FL/FR
2-
pentanone
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
benzaldehyde dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
meaty
meaty dithiane
FL/FR
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
metallic
3-(
methyl thio) hexanol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
propionaldehyde
FL
onion
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
sulfurous
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl thiomethyl butyrate
FL
onion oil
FL/FR
onion oleoresin
FL
potato butanone
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 durian fruit
Search Trop Picture
 onion
Search Trop Picture
 spinach
Search Trop Picture
 wine
Search Picture
 
Synonyms:
3,6-dimethyl-1,2,4,5-tetrathiocyclohexane
1,2,4,5-tetrathiane, 3,6-dimethyl-
 

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Notes:
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