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

diisopropyl trisulfide
diisopropyl trisulphide

Supplier Sponsors

CAS Number: 5943-34-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:227-703-7
FDA UNII:4FQ8084070
Nikkaji Web:J223.901I
MDL:MFCD00040042
XlogP3-AA:2.90 (est)
Molecular Weight:182.37258000
Formula:C6 H14 S3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
EFFA (2017)
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:1300 diisopropyl trisulfide
FLAVIS Number:12.280 (Old)
DG SANTE Food Flavourings:12.280 diisopropyl trisulphide
FEMA Number:3968 diisopropyl trisulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5943-34-0 ; DIISOPROPYL TRISULFIDE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.13400 to 1.14000 @ 25.00 °C.
Pounds per Gallon - (est).: 9.436 to 9.486
Refractive Index:1.44100 to 1.44500 @ 20.00 °C.
Boiling Point: 107.00 to 108.00 °C. @ 10.00 mm Hg
Boiling Point: 243.00 to 244.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.049000 mmHg @ 25.00 °C. (est)
Flash Point: 204.00 °F. TCC ( 95.56 °C. )
logP (o/w): 3.652 (est)
Soluble in:
 alcohol
 water, 37.8 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous garlic
Odor Description:at 0.10 % in propylene glycol. sulfurous garlic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Trisulfide,bis(1-methylethyl)
Beijing Lys Chemicals
Diisopropyl trisulfide
BOC Sciences
For experimental / research use only.
Diisopropyl Trisulfide
DeLong Chemicals America
Diisopropyl trisulfide, Kosher
Jinan Enlighten Chemical Technology(Wutong Aroma )
Diisopropyl trisulfide
Penta International
DIISOPROPYL TRISULFIDE
TCI AMERICA
For experimental / research use only.
Diisopropyl Trisulfide >98.0%(GC)
WholeChem
Diisopropyl trisulfide
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for diisopropyl trisulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.007 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 348 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 20
 average usual ppmaverage maximum ppm
baked goods: 5.0000015.00000
beverages(nonalcoholic): 0.500004.00000
beverages(alcoholic): 1.000008.00000
breakfast cereal: --
cheese: --
chewing gum: 5.0000015.00000
condiments / relishes: --
confectionery froastings: 1.000005.00000
egg products: 1.000005.00000
fats / oils: 1.000005.00000
fish products: --
frozen dairy: 1.400006.00000
fruit ices: 0.800004.00000
gelatins / puddings: 0.800004.00000
granulated sugar: --
gravies: 1.000006.00000
hard candy: 1.400006.00000
imitation dairy: --
instant coffee / tea: 0.500003.00000
jams / jellies: 1.400006.00000
meat products: 1.200005.00000
milk products: 0.800004.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.400006.00000
snack foods: 1.400006.00000
soft candy: 1.400006.00000
soups: 0.500003.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.600002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.040001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.200001.50000
Confectionery (05.0): 0.750002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.620001.00000
Bakery wares (07.0): 0.800002.00000
Meat and meat products, including poultry and game (08.0): 0.730001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100001.00000
Eggs and egg products (10.0): 0.080001.00000
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.450001.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.500001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.100002.00000
Ready-to-eat savouries (15.0): 1.100005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 1 (FGE.74Rev1): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 2 (FGE.74Rev2): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 4 (FGE.74Rev4): Consideration of aliphatic sulphides and thiols evaluated by JECFA (53rd and 61st meeting) structurally related to aliphatic and alicyclic mono-, di-, tri- and polysulphides with or without additional oxygenated functional groups from chemical group 20 evaluated by EFSA in FGE.08Rev5
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :80046
National Institute of Allergy and Infectious Diseases:Data
2-propan-2-ylsulfanyldisulfanylpropane
Chemidplus:0005943340
 
References:
 2-propan-2-ylsulfanyldisulfanylpropane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):80046
Pubchem (sid):135038841
 
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
KEGG (GenomeNet):C03113
HMDB (The Human Metabolome Database):Search
FooDB:FDB009297
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
4-(
methyl thio) butanol
FL
alliaceous
alliaceous
allyl mercaptan
FL
benzyl mercaptan
FL
truffle sulfide
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
sulfurous
furfuryl methyl sulfide
FL
 
Potential Uses:
FLgarlic
FLonion
 
Occurrence (nature, food, other):note
 leek
Search Trop Picture
 onion
Search Trop Picture
 onion bulb
Search Trop Picture
 
Synonyms:
 diisopropyl trisulphide
2,6-dimethyl-3,4,5-trithiaheptane
bis(1-methyl ethyl) trisulfide
bis(1-methylethyl) trisulfide
2-propan-2-ylsulfanyldisulfanylpropane
isopropyl trisulfide
 diisopropyltrisulfane
 dipropan-2-yltrisulfane
 trisulfane, 1,3-bis(1-methylethyl)-
bis(1-methylethyl) pertrisulfide
 trisulfide, di-isopropyl
 

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