3-methyl-1,2,4-trithiane
1,2,4-trithiane, 3-methyl-
 
Notes:
Cysteine derived Maillard product. Flavouring ingredient. Present in aroma of cooked beef, roasted sesame seed oil, yeast extracts and durian fruit (Durio zibethinus)
  • BOC Sciences
    • BOC Sciences
      Best of Chemicals Supplier
      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
      BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
      Email: Marketing
      US Email: Marketing
      Email: Sales
      US Email: Sales
      Voice: 1-631-485-4226
      Fax: 1-631-614-7828
      US Voice: 1-631-485-4226
      US Fax: 1-631-614-7828
      Europe44-203-286-1088
      Facebook
      Twitter
      Linkedin
      Blog
      Get the App!
      Product(s):
      43040-01-3 3-Methyl-1,2,4-trithiane
       
Synonyms   Articles   Notes   Search
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, Edge 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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 574  3-methyl-1,2,4-trithiane
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Taste Description:
meaty
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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: --
Synonyms   Articles   Notes   Search   Top
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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
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): HMDB37290
FooDB: FDB016309
YMDB (Yeast Metabolome Database): YMDB01497
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
FAO: 3-Methyl-1,2,4-trithiane
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 strawberry furanoneFL/FR
chocolate
2,6-dimethyl pyrazineFL/FR
coffee
 furfuryl mercaptanFL/FR
fresh
10-undecen-1-yl acetateFL/FR
fruity
3-mercaptohexyl acetateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 prunus amygdalus amara seed extractFL/FR
(E)-2-undecenalFL/FR
green
(E,Z)-2,6-nonadienalFL/FR
 meaty dithianeFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
moldy
 strawberry furanone methyl etherFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 filbert heptenoneFL/FR
2,6-lutidineFL/FR
 trigonella foenum-graecum seed oil CO2 extractFL/FR
smoky
2,6-dimethoxyphenolFL/FR
 pyroligneous acidsFL/FR
 benzothiazoleFL/FR
 fish thiolFL/FR
 furfuryl thioacetateFL/FR
2-mercaptopropionic acidFL/FR
 methyl mercaptanFL/FR
2-(methyl thio) phenolFL/FR
 
For Flavor
 
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
 dimethyl trisulfideFL/FR
 garlic oil extendersFL
3-mercapto-2-pentanoneFL
bacon
 bacon reaction crispyFL
burnt
1,6-hexane dithiolFL
caramellic
 strawberry furanoneFL/FR
chemical
2,5-dimethyl furanFL
coffee
2-ethyl-4-methyl thiazoleFL/FR
 furfuryl mercaptanFL/FR
 methyl furfuryl mercaptopropionateFL
 methyl furfuryl thiolFL
earthy
(±)-2-mercapto-5-methylheptan-4-oneFL
1,8-octane dithiolFL
2-thienyl disulfideFL
fatty
pork fat extractFL
(E)-7-methyl-3-octen-2-oneFL/FR
fruity
2-ethyl-2,5-dihydro-4-methyl thiazoleFL
greasy
10-undecen-1-yl acetateFL/FR
green
4-methyl thiazoleFL
(E,Z)-2,6-nonadienalFL/FR
meaty
4-allyl-2,6-dimethoxyphenolFL
 bacon flavorFL
 beef broth flavorFL
 beef flavorFL
BBQ beef flavorFL
roast beef flavorFL
 beef flavor baseFL
 benzothiazoleFL/FR
 chicken bone extractFL
 chicken extractFL
grilled chicken flavorFL
 chicken flavorFL
 chicken keyFL
2,6-dimethyl pyrazineFL/FR
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
2',3-dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentaneFL
 ethyl 2-hydroxyethyl sulfideFL
 furfuryl 2-methyl-3-furyl disulfideFL
4-furfuryl thio-2-pentanoneFL
 ham enhancersFL
 ham flavorFL
 hot dog flavorFL
 lamb flavorFL
 liver flavorFL
 meat broth concentratesFL
 meat flavorsFL
 meaty dithianeFL/FR
 meaty enhancersFL
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
3-mercapto-3-methyl butanolFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
2-(methyl thio) phenolFL/FR
 methyl thiofuryl butanalFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
2-methyl-3-thioacetoxytetrahydrofuranFL
 phenyl mercaptanFL
roasted pork flavorFL
 pork flavorFL
grilled pork flavorFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 rabbit flavorFL
grilled steak flavorFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 thialdineFL
ortho-thiocresolFL
ortho-thioguaiacolFL
smoked turkey flavorFL
roast turkey flavorFL
 turkey flavorFL
 veal flavorFL
 venison flavorFL
medicinal
2,6-dimethoxyphenolFL/FR
moldy
 strawberry furanone methyl etherFL/FR
nutty
2-acetyl-4-methyl thiazoleFL
 filbert heptenoneFL/FR
2,6-lutidineFL/FR
 nutty thiazoleFL
 prunus amygdalus amara seed extractFL/FR
phenolic
2-ethyl benzene thiolFL
roasted
3,5-diisobutyl-1,2,4-trithiolaneFL
 furfuryl thioacetateFL/FR
 trigonella foenum-graecum seed oil CO2 extractFL/FR
savory
2,4,6-triethyl tetrahydro-1,3,5-dithiazineFL
smoky
 pyroligneous acidsFL/FR
spicy
hot spicy beef flavorFL
sulfurous
 butyl mercaptanFL
 fish thiolFL/FR
 furfuryl thiopropionateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl mercaptanFL/FR
3-methyl-2-butane thiolFL
2-naphthyl mercaptanFL
3-pentane thiolFL
 roasted butanolFL
tropical
3-mercaptohexyl acetateFL/FR
waxy
(E)-2-undecenalFL/FR
yeasty
 faex extractsFL
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
None Found
Synonyms   Articles   Notes   Search   Top
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   Articles   Notes   Search   Top
Synonyms:
3-methyl-1,2,4-trithiacyclohexane
1,2,4-trithiane, 3-methyl-
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2021 Perflavory ™ Disclaimer Privacy Policy