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

propyl propane thiosulfonate
dipropyl thiosulfonate

Supplier Sponsors

Name:1-propylsulfonylsulfanylpropane
CAS Number: 1113-13-9Picture of molecule3D/inchi
FDA UNII:H5E892YJGG
XlogP3-AA:1.80 (est)
Molecular Weight:182.30598000
Formula:C6 H14 O2 S2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
No longer supported by Industry (DG SANCO, 2013b). (Flavour Industry, 2007b).
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:1702 propyl propane thiosulfonate
FLAVIS Number:12.272 (Old)
DG SANTE Food Flavourings:12.272 propyl propanethiosulfonate
FEMA Number:4263 propyl propane thiosulfonate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1113-13-9 ; PROPYL PROPANE THIOSULFONATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.11900 to 1.12300 @ 25.00 °C.
Pounds per Gallon - (est).: 9.311 to 9.344
Refractive Index:1.48100 to 1.48800 @ 20.00 °C.
Boiling Point: 113.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 285.00 °F. TCC ( 140.56 °C. )
logP (o/w): 2.285 (est)
Soluble in:
 alcohol, slightly
 water, slightly
 water, 631.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
roasted alliaceous
Odor Description:at 0.10 % in propylene glycol. roasted alliaceous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
1-Propanesulfonothioic acid, S-propyl ester
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 propyl propane thiosulfonate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: 23
 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: 0.010001.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.010001.00000
snack foods: 0.010001.00000
soft candy: --
soups: 0.010001.00000
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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups 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

Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :529388
National Institute of Allergy and Infectious Diseases:Data
1-propylsulfonylsulfanylpropane
Chemidplus:0001113139
 
References:
 1-propylsulfonylsulfanylpropane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):529388
Pubchem (sid):11077363
Pherobase:View
 
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
HMDB (The Human Metabolome Database):HMDB32496
FooDB:FDB010144
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
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
3-(
ethyl thio) butanol
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
1-
phenyl-3(5)-propyl pyrazole
FL
3-iso
propenyl pentane dioic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
S-
allyl-laevo-cysteine
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
meaty
meaty
propyl 2-mercaptopropionate
FL
nutty
2-
butyl-2-butenal
FL
roasted
lactoyl ethanolamine
FL
lactoyl ethanolamine phosphate
FL
sulfurous
2,4,6-
trithiaheptane 10% in triacetin
FL
 
Potential Uses:
FLmeat
FLonion
 
Occurrence (nature, food, other):note
 onion
Search Trop Picture
 scallion
Search Trop Picture
 
Synonyms:
 dipropyl thiosulfonate
1-propanesulfonothioic acid, S-propyl ester
S-propyl propane-1-sulfonothioate
 propyl propanethiosulfonate
1-propylsulfonylsulfanylpropane
 

Articles:

PubMed:Use of Onion Extract as a Dairy Cattle Feed Supplement: Monitoring Propyl Propane Thiosulfonate as a Marker of Its Effect on Milk Attributes.
PubMed:Effects of feed additives on ileal mucosa-associated microbiota composition of broiler chickens.
PubMed:The effects of a garlic oil chemical compound, propyl-propane thiosulfonate, on ruminal fermentation and fatty acid outflow in a dual-flow continuous culture system.
PubMed:Correlations between changes in intestinal microbiota composition and performance parameters in broiler chickens.
PubMed:In vitro-in vivo study on the effects of plant compounds on rumen fermentation, microbial abundances and methane emissions in goats.
PubMed:Garlic derivative propyl propane thiosulfonate is effective against broiler enteropathogens in vivo.
PubMed:Volatile compounds thermally generated from S-propylcysteine and S-propylcysteine sulfoxide-aroma precursors of Allium vegetables.
 
Notes:
Used as a food additive [EAFUS]
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