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

bis(1-mercaptopropyl) sulfide
bis(1-mercaptopropyl)sulphide

Supplier Sponsors

Name:bis(1-mercaptopropyl)sulfide
CAS Number: 53897-60-2Picture of molecule3D/inchi
% from:56.00%
FDA UNII:2H23KZ912J
XlogP3-AA:3.60 (est)
Molecular Weight:182.37258000
Formula:C6 H14 S3
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(±)-3,5-diethyl-1,2,4-trithiolane 36.00% min.
 dipropyl sulfide 4.00% to 6.00%
EFSA/JECFA Comments:
Contains 56% min bis(1-mercaptopropyl)sulfide, 36% min 3,5-diethyl-1,2,4-trithiolane; contains approx. 5% dipropylsulfide. Specifications (Flavour Industry, 2004m). Mixture of diastereoisomers (EFFA, 2010a). Composition of mixture to be specified.
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:1709 bis(1-mercaptopropyl)sulfide
FLAVIS Number:12.284 (Old)
DG SANTE Food Flavourings:12.284 bis(1-mercaptopropyl)sulphide
FEMA Number:4297 bis(1-mercaptopropyl)sulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: BIS(1-MERCAPTOPROPYL)SULFIDE
 
Physical Properties:
Appearance:pale yellow to yellow clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:1.07700 to 1.05700 @ 25.00 °C.
Pounds per Gallon - (est).: 8.962 to 8.795
Refractive Index:1.54200 to 1.55200 @ 20.00 °C.
Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.128000 mm/Hg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.30 °C. ) (est)
logP (o/w): 3.798 (est)
Soluble in:
 alcohol
 water, slightly
 water, 308 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
alliaceous fruity garlic onion green onion onion
Odor Description:at 0.01 % in propylene glycol. alliaceous fruity garlic green onion
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
bis(1-mercaptopropyl) sulfide
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 bis(1-mercaptopropyl) sulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.60 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 2000 (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: 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.500002.00000
chewing gum: --
condiments / relishes: 0.200001.00000
confectionery froastings: --
egg products: 1.000005.00000
fats / oils: 1.000005.00000
fish products: 1.000005.00000
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.500002.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.0000010.00000
milk products: --
nut products: 0.200001.00000
other grains: --
poultry: 1.000005.00000
processed fruits: --
processed vegetables: 1.000005.00000
reconstituted vegetables: 0.200001.00000
seasonings / flavors: 50.000001000.00000
snack foods: 0.500002.50000
soft candy: --
soups: 0.500002.00000
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): 0.050001.25000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.050001.25000
Edible ices, including sherbet and sorbet (03.0): 0.5000012.50000
Processed fruit (04.1): 0.050001.25000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.050001.25000
Confectionery (05.0): 5.00000125.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 1.0000025.00000
Bakery wares (07.0): 0.5000012.50000
Meat and meat products, including poultry and game (08.0): 0.050001.25000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.050001.25000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.050001.25000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.00000125.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 5.00000125.00000
Ready-to-eat savouries (15.0): 0.050001.25000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.050001.25000
 
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

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 :18185507
National Institute of Allergy and Infectious Diseases:Data
bis(1-mercaptopropyl)sulfide
Chemidplus:0053897602
 
References:
 bis(1-mercaptopropyl)sulfide
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18185507
Pubchem (sid):135267265
 
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):HMDB40235
FooDB:FDB019950
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
methyl furfuryl disulfide
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
ferula assa-foetida absolute
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-(
methyl thio) phenol
FL/FR
4-
tropical oxathiane
FL/FR
tropical
trans-
galbanum oxathiane
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
diethyl trisulfide
FL
diisopropyl trisulfide
FL
dipropyl sulfide
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
trans-
galbanum oxathiane
FL/FR
methyl butyl sulfide
FL
alliaceous
alliaceous
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
cyclopentyl mercaptan
FL
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
2-
methyl thioacetaldehyde
FL
coffee
methyl furfuryl disulfide
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
fruity
4-
tropical oxathiane
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
ortho-
thiocresol
FL
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
methyl 4-(methyl thio) butyrate
FL
 
Potential Uses:
FLgarlic
FLonion green onion
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
bis-(1-mercaptopropyl) sulfide
bis(1-mercaptopropyl)sulfide
bis(1-mercaptopropyl)sulphide
1-propanethiol, 1,1'-thiobis-
1,1’-thiobis-1-propane thiol
1,1’-thiobis-1-propanethiol
1,1'-thiobis(1-propanethiol)
1,1'-thiodipropane-1-thiol
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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