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3,5-dimethyl-1,2,4-trithiolane

Chemical Structure

General Material Information

Preferred name 3,5-dimethyl-1,2,4-trithiolane
Trivial Name 3,5-Dimethyl-1,2,4-trithiolane
Short Description 1,2,4-trithiolane, 3,5-dimethyl-
Formula C4 H8 S3
CAS Number 23654-92-4
FEMA Number 3541
Flavis Number 15.025
ECHA Number 245-808-6
FDA UNII FQN903SX70
Nikkaji Number J127.228D
COE Number 11883
xLogP3-AA 2.40 (est)
NMR Predictor External link
JECFA Food Flavoring 573 3,5-dimethyl-1,2,4-trithiolane
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 23654-92-4 ; 3,5-DIMETHYL-1,2,4-TRITHIOLANE
Synonyms
  • 3,5-dimethyl-1,2,4-trithiacyclopentane
  • 2,5-dimethyl-1,3,4-trithiolane
  • 1,2,4-trithiolane, 3,5-dimethyl-
  • 1,2,4-Trithiolane, 3,5-dimethyl-
  • 2,5-Dimethyl-1,3,4-trithiolane

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.30276489258
Specific gravity @ 25 °C
Pounds per Gallon 10.326 to 10.493
Refractive Index 1.593 to 1.603 @ 20 °C
Boiling Point 43 to 45°C @ 0.7 mm Hg
Boiling Point 227 to 228°C @ 760 mm Hg
Vapor Pressure 0.111 mmHg @ 25 °C
Flash Point TCC Value 97.22 °C TCC
logP (o/w) 3.76 est
Solubility
alcohol Yes
fats Yes
water, 996.3 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
meaty, beefy, sulfurous
General comment At 0.01 % in propylene glycol. meaty beefy sulfurous

Occurrences

Potential Uses

Applications
Flavoring purposes Meat

Safety Information

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

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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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