bis(1-mercaptopropyl) sulfide

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bis(1-mercaptopropyl)sulphide

CAS: 53897-60-2 C6 H14 S3 MW: 182.37258000 sulfurous

Identification

Namebis(1-mercaptopropyl) sulfide
IUPACbis(1-mercaptopropyl)sulfide
CAS Number53897-60-2
FDA UNII2H23KZ912J
Molecular FormulaC6 H14 S3
Molecular Weight182.37258000

Regulatory

JECFA Food Flavoring1709 bis(1-mercaptopropyl)sulfide
DG SANTE Food Flavourings12.284 bis(1-mercaptopropyl)sulphide
FEMA Number4297
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)53897-60-2 ; 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 mmHg @ 25.00 °C. (est)
Flash Point 195.00 °F. TCC ( 90.30 °C. ) (est)
logP (o/w) 3.798 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 0.01 % in propylene glycol.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for bis(1-mercaptopropyl) sulfide usage levels up tonot 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 Concern1800 (μg/person/day)
Structure ClassI
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese0.50000
chewing gum-
condiments / relishes0.20000
confectionery froastings-
egg products1.00000
fats / oils1.00000
fish products1.00000
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies0.50000
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products1.00000
milk products-
nut products0.20000
other grains-
poultry1.00000
processed fruits-
processed vegetables1.00000
reconstituted vegetables0.20000
seasonings / flavors50.00000
snack foods0.50000
soft candy-
soups0.50000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)0.05000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.05000
Edible ices, including sherbet and sorbet (03.0)0.50000
Processed fruit (04.1)0.05000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)0.05000
Confectionery (05.0)5.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)1.00000
Bakery wares (07.0)0.50000
Meat and meat products, including poultry and game (08.0)0.05000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.05000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.05000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)5.00000
Ready-to-eat savouries (15.0)0.05000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.05000

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Potential Uses

FL garlic FL onion green onion

Natural Occurrence

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 Try the PubMed Search.