1,1-propane dithiol

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1,1-propanedithiol

CAS: 88497-17-0 C3 H8 S2 MW: 108.22676000 sulfurous

Identification

Name1,1-propane dithiol
IUPACpropane-1,1-dithiol
CAS Number88497-17-0
FDA UNIIWXB7P88MHJ
Molecular FormulaC3 H8 S2
Molecular Weight108.22676000
Nikkaji NumberJ1.405.824I

Regulatory

JECFA Food Flavoring2087 1,1-propanedithiol
DG SANTE Food Flavourings12.300 1,1-propanedithiol
FEMA Number4670
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)88497-17-0 ; 1,1-PROPANEDITHIOL

Physical Properties

Appearance colorless to yellow clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.01500 @ 25.00 °C.
Refractive Index 1.50700 @ 20.00 °C.
Boiling Point 137.00 to 138.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure 8.643000 mmHg @ 25.00 °C. (est)
Flash Point 104.00 °F. TCC ( 40.10 °C. ) (est)
logP (o/w) 2.249 (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 1,1-propane dithiol usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)7.5 (μg/person/day)
Threshold of Concern90 (μg/person/day)
Structure ClassIII
baked goods0.01000
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal0.01000
cheese0.01000
chewing gum-
condiments / relishes0.01000
confectionery froastings-
egg products-
fats / oils0.02000
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies0.01000
hard candy-
imitation dairy0.02000
instant coffee / tea-
jams / jellies-
meat products0.02000
milk products0.01000
nut products-
other grains-
poultry0.02000
processed fruits-
processed vegetables0.01000
reconstituted vegetables-
seasonings / flavors0.08000
snack foods0.02000
soft candy-
soups0.01000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)0.04000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.02000
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)0.01000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)0.01000
Confectionery (05.0)-
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.01000
Bakery wares (07.0)0.03000
Meat and meat products, including poultry and game (08.0)0.04000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)-
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.10000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)-
Ready-to-eat savouries (15.0)0.01000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)-

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

1,1- dimercaptopropane propane-1,1-dithiol 1,1- propanedithiol Leffingwell & Associates: Flavor Properties of FEMA GRAS List 25 flavor chemicals