3,5-dimethyl-1,2,4-trithiolane
1,2,4-trithiolane, 3,5-dimethyl-
 
Notes:
Occurs in roast or boiled pork, beef, mutton and chicken. Also in roasted filberts and cooked potato, beans, shrimp and clam. Flavouring ingredient.
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      23654-92-4 3,5-Dimethyl-1,2,4-trithiolane
       
  • R C Treatt & Co Ltd
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CAS Number: 23654-92-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 245-808-6
FDA UNII: FQN903SX70
Nikkaji Web: J127.228D
CoE Number: 11883
XlogP3-AA: 2.40 (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: 573  3,5-dimethyl-1,2,4-trithiolane
DG SANTE Food Flavourings: 15.025  3,5-dimethyl-1,2,4-trithiolane
FEMA Number: 3541 3,5-dimethyl-1,2,4-trithiolane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):23654-92-4 ; 3,5-DIMETHYL-1,2,4-TRITHIOLANE
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Physical Properties:
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.24100 to 1.26100 @  25.00 °C.
Pounds per Gallon - (est).: 10.326 to 10.493
Refractive Index: 1.59300 to 1.60300 @  20.00 °C.
Boiling Point: 43.00 to  45.00 °C. @ 0.70 mm Hg
Boiling Point: 227.00 to  228.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.111000 mmHg @ 25.00 °C. (est)
Flash Point: 207.00 °F. TCC ( 97.22 °C. )
logP (o/w): 3.760 (est)
Soluble in:
 alcohol
 fats
 water, 996.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: high ,
recommend smelling in a 0.01 % solution or less
 
 meaty  beefy  sulfurous  
Odor Description:
at 0.01 % in propylene glycol. 
meaty beefy sulfurous
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
3,5-Dimethyl-1,2,4-trithiolane
Parchem
3,5-dimethyl-1,2,4-trithiolane
R C Treatt & Co Ltd
3,5-Dimethyl-1,2,4-trithiolane Experimental
NI, Kosher
Shijiazhuang Donglian Nankai Aroma Chemicals
3,5-Dimethyl-1,2,4-trithiolane
Odor: Cooked beef and durian
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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:
oral-rat LD50  115 mg/kg
(BIBRA, 1976)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 3,5-dimethyl-1,2,4-trithiolane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
Adequate NOAEL exists: Yes
NOEL (No Observed Effect Level): 1.9 (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: 11
Click here to view publication 11
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.30000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.30000
milk products: -0.30000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.30000
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 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
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 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): 23654-92-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 32033
National Institute of Allergy and Infectious Diseases: Data
 3,5-dimethyl-1,2,4-trithiolane
Chemidplus: 0023654924
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References:
 3,5-dimethyl-1,2,4-trithiolane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 23654-92-4
Pubchem (cid): 32033
Pubchem (sid): 135163153
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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): HMDB31470
FooDB: FDB008043
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: 3,5-Dimethyl-1,2,4-trithiolane
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Potential Blenders and core components note
 
For Odor
chocolate
chocolate
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
coffee
 coffee difuranFL/FR
floral
6,8-dimethyl-2-nonanolFR
 meaty dithianeFL/FR
4-methyl nonanoic acidFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
nutty
2,4,5-trimethyl oxazoleFL/FR
sulfurous
 fish thiolFL/FR
 
For Flavor
 
No flavor group found for these
 benzyl methyl sulfideFL
2,4-dimethyl-3-oxazolineFL
1-(2-thienyl) butanoneFL
burnt
2,4,5-trimethyl oxazoleFL/FR
chemical
2,5-dimethyl furanFL
coffee
 coffee difuranFL/FR
2,4-dimethyl thiazoleFL
corn chip
2-acetyl-2-thiazolineFL
eggy
isopropyl mercaptanFL
fatty
4-methyl nonanoic acidFL/FR
2,4-octadien-1-olFL
meaty
 meaty dithianeFL/FR
3-mercapto-2-butanoneFL
2-methyl 3-(methyl thio) furanFL
2-methyl-3-tetrahydrofuran thiolFL
2-pyridinyl methane thiolFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
musty
2,5-dimethyl pyrazineFL/FR
nutty
2,6-dimethyl pyrazineFL/FR
sulfurous
 fish thiolFL/FR
 methyl 2-methyl-3-furyl disulfideFL
3-methyl-2-butane thiolFL
 
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Potential Uses:
 meatFL
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Occurrence (nature, food, other): note
 beef
Search  PMC Picture
 chicken
Search  PMC Picture
 mutton
Search  PMC Picture
 pork
Search  PMC Picture
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Synonyms:
3,5-dimethyl-1,2,4-trithiacyclopentane
2,5-dimethyl-1,3,4-trithiolane
1,2,4-trithiolane, 3,5-dimethyl-
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Articles:
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