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

3-methyl-1,2,4-trithiane
1,2,4-trithiane, 3-methyl-

Supplier Sponsors

Name:3-methyl-1,2,4-trithiane
CAS Number: 43040-01-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:256-056-3
FDA UNII:G1961C379S
Nikkaji Web:J422.480I
XlogP3-AA:1.90 (est)
Molecular Weight:152.30276000
Formula:C4 H8 S3
NMR Predictor:Predict (works with chrome or firefox)
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:574 3-methyl-1,2,4-trithiane
FLAVIS Number:15.036 (Old)
DG SANTE Food Flavourings:15.036 3-methyl-1,2,4-trithiane
FEMA Number:3718 3-methyl-1,2,4-trithiane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):43040-01-3 ; 3-METHYL-1,2,4-TRITHIANE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.27600 @ 20.00 °C.
Refractive Index:1.61700 to 1.62700 @ 20.00 °C.
Boiling Point: 226.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.053000 mmHg @ 25.00 °C. (est)
Flash Point: 226.00 °F. TCC ( 107.78 °C. )
logP (o/w): 3.386 (est)
Soluble in:
 fats
 water, 862.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Taste Description: meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Methyl-1,2,4-trithiane
DeLong Chemicals America
3-methyl-1,2,4-trithiane
Parchem
3-methyl-1,2,4-trithiane
 
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:
oral-rat LD50 [sex: M,F] 440 mg/kg
(Mondino & Peano, 1979b)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 3-methyl-1,2,4-trithiane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.073 (μg/capita/day)
NOEL (No Observed Effect Level): 0.30 (mg/kg bw per day)
Structure Class: II
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: 13
Click here to view publication 13
 average usual ppmaverage maximum ppm
baked goods: -1.50000
beverages(nonalcoholic): -0.15000
beverages(alcoholic): -0.50000
breakfast cereal: -0.50000
cheese: --
chewing gum: -5.00000
condiments / relishes: --
confectionery froastings: -0.50000
egg products: -0.05000
fats / oils: --
fish products: --
frozen dairy: -0.50000
fruit ices: --
gelatins / puddings: -0.30000
granulated sugar: --
gravies: -0.50000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: --
nut products: -0.50000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -1.50000
soft candy: -0.50000
soups: -0.50000
sugar substitutes: --
sweet sauces: --
 
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 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

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 the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):43040-01-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :65290
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methyl-1,2,4-trithiane
Chemidplus:0043040013
 
References:
 3-methyl-1,2,4-trithiane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:43040-01-3
Pubchem (cid):65290
Pubchem (sid):135021697
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37290
FooDB:FDB016309
YMDB (Yeast Metabolome Database):YMDB01497
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
FAO:3-Methyl-1,2,4-trithiane
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
caramellic
strawberry furanone
FL/FR
chocolate
2,6-
dimethyl pyrazine
FL/FR
coffee
furfuryl mercaptan
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
3-
mercaptohexyl acetate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
prunus amygdalus amara seed extract
FL/FR
(E)-2-
undecenal
FL/FR
green
(E,Z)-2,6-
nonadienal
FL/FR
meaty
meaty dithiane
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
2-
ethyl-4-methyl thiazole
FL/FR
filbert heptenone
FL/FR
2,6-
lutidine
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
pyroligneous acids
FL/FR
sulfurous
benzothiazole
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
methyl mercaptan
FL/FR
2-(
methyl thio) phenol
FL/FR
For Flavor
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
garlic oil extenders
FL
3-
mercapto-2-pentanone
FL
bacon
bacon reaction crispy
FL
burnt
1,6-
hexane dithiol
FL
caramellic
strawberry furanone
FL/FR
chemical
2,5-
dimethyl furan
FL
coffee
2-
ethyl-4-methyl thiazole
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl mercaptopropionate
FL
methyl furfuryl thiol
FL
earthy
(±)-2-
mercapto-5-methylheptan-4-one
FL
1,8-
octane dithiol
FL
2-
thienyl disulfide
FL
fatty
pork
fat extract
FL
(E)-7-
methyl-3-octen-2-one
FL/FR
fruity
2-
ethyl-2,5-dihydro-4-methyl thiazole
FL
greasy
10-
undecen-1-yl acetate
FL/FR
green
4-
methyl thiazole
FL
(E,Z)-2,6-
nonadienal
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
bacon flavor
FL
beef broth flavor
FL
beef flavor
FL
BBQ
beef flavor
FL
roast
beef flavor
FL
beef flavor base
FL
benzothiazole
FL/FR
chicken bone extract
FL
chicken extract
FL
chicken flavor
FL
grilled
chicken flavor
FL
chicken key
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
2',3-
dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentane
FL
ethyl 2-hydroxyethyl sulfide
FL
furfuryl 2-methyl-3-furyl disulfide
FL
4-
furfuryl thio-2-pentanone
FL
ham enhancers
FL
ham flavor
FL
hot dog flavor
FL
lamb flavor
FL
liver flavor
FL
meat broth concentrates
FL
meat flavors
FL
meaty dithiane
FL/FR
meaty enhancers
FL
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
2-(
methyl thio) phenol
FL/FR
methyl thiofuryl butanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
pork flavor
FL
grilled
pork flavor
FL
roasted
pork flavor
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
rabbit flavor
FL
grilled
steak flavor
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
smoked
turkey flavor
FL
roast
turkey flavor
FL
turkey flavor
FL
veal flavor
FL
venison flavor
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
2-
acetyl-4-methyl thiazole
FL
2,6-
dimethyl pyrazine
FL/FR
filbert heptenone
FL/FR
2,6-
lutidine
FL/FR
nutty thiazole
FL
prunus amygdalus amara seed extract
FL/FR
phenolic
2-
ethyl benzene thiol
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
trigonella foenum-graecum seed oil CO2 extract
FL/FR
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
smoky
pyroligneous acids
FL/FR
spicy
hot spicy
beef flavor
FL
sulfurous
butyl mercaptan
FL
fish thiol
FL/FR
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl mercaptan
FL/FR
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
3-
pentane thiol
FL
roasted butanol
FL
tropical
3-
mercaptohexyl acetate
FL/FR
waxy
(E)-2-
undecenal
FL/FR
yeasty
faex extracts
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 beef boiled beef
Search PMC Picture
 beef cooked beef
Search PMC Picture
 durian fruit
Search Trop Picture
 sesame seed oil roasted
Search Trop Picture
 
Synonyms:
3-methyl-1,2,4-trithiacyclohexane
1,2,4-trithiane, 3-methyl-
 

Articles:

 None found yet.
 
Notes:
Cysteine derived Maillard product. Flavouring ingredient. Present in aroma of cooked beef, roasted sesame seed oil, yeast extracts and durian fruit (Durio zibethinus)
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