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

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

Supplier Sponsors

Name:3,5-dimethyl-1,2,4-trithiolane
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
FLAVIS Number:15.025 (Old)
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: 3,5-DIMETHYL-1,2,4-TRITHIOLANE
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
None found
 
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
 
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
 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
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
 
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
 
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):HMDB31470
FooDB:FDB008043
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:3,5-Dimethyl-1,2,4-trithiolane
 
Potential Blenders and core components note
For Odor
chocolate
2,5-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
floral
6,8-
dimethyl-2-nonanol
FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
nutty
2,4,5-
trimethyl oxazole
FL/FR
sulfurous
fish thiol
FL/FR
For Flavor
No flavor group found for these
benzyl methyl sulfide
FL
2,4-
dimethyl-3-oxazoline
FL
1-(2-
thienyl) butanone
FL
burnt
burnt
2,4,5-
trimethyl oxazole
FL/FR
chemical
2,5-
dimethyl furan
FL
coffee
coffee difuran
FL/FR
2,4-
dimethyl thiazole
FL
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
fatty
4-
methyl nonanoic acid
FL/FR
2,4-
octadien-1-ol
FL
meaty
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
2-
methyl 3-(methyl thio) furan
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
pyridinyl methane thiol
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
nutty
2,6-
dimethyl pyrazine
FL/FR
sulfurous
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
 
Potential Uses:
FLmeat
 
Occurrence (nature, food, other):note
 beef
Search PMC Picture
 chicken
Search PMC Picture
 mutton
Search PMC Picture
 pork
Search PMC Picture
 
Synonyms:
3,5-dimethyl-1,2,4-trithiacyclopentane
2,5-dimethyl-1,3,4-trithiolane
1,2,4-trithiolane, 3,5-dimethyl-
 

Articles:

 None found yet.
 
Notes:
Occurs in roast or boiled pork, beef, mutton and chicken. Also in roasted filberts and cooked potato, beans, shrimp and clam. Flavouring ingredient.
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