EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2,4,6-trithiaheptane 10% in triacetin
sulfanediylbis[(methylsulfanyl)methane]

Sponsors

CAS Number: 6540-86-9Picture of molecule3D/inchi
FDA UNII:NUN90O9MA6
Nikkaji Web:J1.102.051H
MDL:MFCD08436096
XlogP3-AA:2.40 (est)
Molecular Weight:154.31870000
Formula:C4 H10 S3
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:triacetin 90.00%
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1684 2,4,6-trithiaheptane 10% in triacetin
FLAVIS Number:12.240 (Old)
DG SANTE Food Flavourings:12.240 2,4,6-trithiaheptane 10% in triacetin
FEMA Number:4214 2,4,6-trithiaheptane 10% in triacetin
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2,4,6-TRITHIAHEPTANE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.54000 to 1.55000 @ 25.00 °C.
Pounds per Gallon - (est).: 12.814 to 12.898
Refractive Index:1.44400 to 1.44500 @ 20.00 °C.
Boiling Point: 255.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.115000 mm/Hg @ 25.00 °C. (est)
Flash Point: 199.00 °F. TCC ( 92.78 °C. )
logP (o/w): 1.679 (est)
Soluble in:
 alcohol
 triacetin
 water, 374.8 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
sulfurous cooked roasted
Odor Description:at 0.01 % in propylene glycol. sulfurous cooked roasted
Flavor Type: sulfurous
sulfurous onion
Taste Description: sulfurous onion
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methane,1,1'-thiobis[1-(methylthio)-
DeLong Chemicals America
2,4,6-Trithiaheptane, Kosher
Endeavour Specialty Chemicals
2,4,6-Trithiaheptane 97% F&F
Speciality Chemical Product Groups
Penta International
2,4,6-TRITHIAHEPTANE
Robinson Brothers
2,4,6-Trithiaheptane F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Bis(methylthiomethyl) sulfide
Treatt
2,4,6-Trithiaheptane
Kosher
Odor: Fried onions/mushrooms; fried liver and onions
Flavor: onion
0.05 to 0.5ppm in soups and processed foods; 0.1 to 1.0ppm in oils, fats, sauces; and at 0.5 to 5ppm in seasonings.
 
Safety Information:
Preferred SDS: View
 
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 2,4,6-trithiaheptane 10% in triacetin usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
NOEL (No Observed Effect Level): 250 (mg/kg bw per day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 22
 average usual ppmaverage maximum ppm
baked goods: 0.200002.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.050000.50000
chewing gum: --
condiments / relishes: 0.050000.50000
confectionery froastings: --
egg products: --
fats / oils: 0.100001.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100001.00000
hard candy: --
imitation dairy: 0.100001.00000
instant coffee / tea: --
jams / jellies: --
meat products: 0.050000.50000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 0.050000.50000
reconstituted vegetables: 0.050000.50000
seasonings / flavors: 0.500005.00000
snack foods: 0.100001.00000
soft candy: --
soups: 0.050000.50000
sugar substitutes: --
sweet sauces: --
 
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): 0.100000.50000
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 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

Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): 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.08Rev3 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the 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.08Rev5 (2012)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :399848
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
sulfanediylbis[(methylsulfanyl)methane]
Chemidplus:0006540869
 
References:
 sulfanediylbis[(methylsulfanyl)methane]
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):399848
Pubchem (sid):135297273
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32547
FooDB:FDB010424
Export Tariff Code:2930.90.9999
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
methyl furfuryl disulfide
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
coffee
furfuryl mercaptan
FL/FR
creamy
butyl lactate
FL/FR
earthy
dibenzyl ether
FL/FR
1-
nonen-3-ol
FL/FR
3-
octanol
FL/FR
1-
octen-3-one
FL/FR
fatty
(E)-2-
decenal
FL/FR
fermented
butyl laevo-lactate
FL/FR
floral
nonyl octanoate
FL/FR
octyl acetate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
fruity
octyl propionate
FL/FR
fungal
1-
decen-3-ol
FL/FR
methyl 2-furoate
FL/FR
green
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
herbal
3-
octanone
FL/FR
honey
phenethyl furoate
FL/FR
mushroom
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
sulfurous
2-
mercaptopropionic acid
FL/FR
waxy
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
1,2-
butane dithiol
FL
iso
butyl mercaptan
FL
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
3-(
ethyl thio) butanol
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
1-(3-
hydroxy-5-methyl-2-thienyl) ethanone
FL
tris(
methyl thio) methane
FL
nonyl octanoate
FL/FR
(E)-2-
penten-1-ol
FL
2-
pentyl-1-buten-3-one
FL
phenethyl furoate
FL/FR
1-
phenyl-3(5)-propyl pyrazole
FL
3-iso
propenyl pentane dioic acid
FL
thioacetic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
S-
allyl-laevo-cysteine
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
alliaceous
alliaceous
dimethyl trisulfide
FL/FR
balsamic
(E)-
benzyl tiglate
FL/FR
buttery
butyl laevo-lactate
FL/FR
caramellic
methyl 2-furoate
FL/FR
coffee
furfuryl mercaptan
FL/FR
methyl furfuryl disulfide
FL/FR
creamy
acetyl ethyl carbinol
FL
dairy
butyl lactate
FL/FR
earthy
1-
decen-3-ol
FL/FR
1-
nonen-3-ol
FL/FR
1,8-
octane dithiol
FL
1-
octen-3-one
FL/FR
estery
octyl propionate
FL/FR
fatty
dimethyl sulfoxide
FL
fermented
methyl thio isovalerate
FL
fruity
dibenzyl ether
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
green
(Z)-3-
hexen-1-yl tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
melon acetal
FL/FR
phenyl acetaldehyde dimethyl acetal
FL/FR
meaty
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptopropionic acid
FL/FR
propyl 2-mercaptopropionate
FL
mushroom
3-
octanone
FL/FR
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
musty
3-
octanol
FL/FR
nutty
2-
butyl-2-butenal
FL
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
lactoyl ethanolamine
FL
lactoyl ethanolamine phosphate
FL
sulfurous
1-(
methyl thio)-2-butanone
FL
2-
naphthyl mercaptan
FL
tropical
psidium guajava fruit
FL
vegetable
2-
octen-4-one
FL/FR
waxy
(E)-2-
decenal
FL/FR
methyl laurate
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
octyl 2-furoate
FL
octyl acetate
FL/FR
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLmeat
FLmushroom
 
Occurrence (nature, food, other):note
 truffle white truffle
Search PMC Picture
 
Synonyms:
bis-methyl sulfanyl methyl sulfide 10% in triacetin
bis-(methyl sulfanyl methyl) sulfide 10% in triacetin
bis-(methyl thiomethyl) sulfide 10% in triacetin
 methylsulfanyl-(methylsulfanylmethylsulfanyl)methane
 sulfanediylbis[(methylsulfanyl)methane]
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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