1-(methyl dithio)-2-propanone

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1-(methyldithio)-2-propanone

CAS: 122861-78-3 C4 H8 O S2 MW: 136.23696000 sulfurous

Identification

Name1-(methyl dithio)-2-propanone
CAS Number122861-78-3
FDA UNII513B7U71D6
Molecular FormulaC4 H8 O S2
Molecular Weight136.23696000
Nikkaji NumberJ3.151.976D

Regulatory

JECFA Food Flavoring2088 1-methyldithio-2-propanone
DG SANTE Food Flavourings12.301 methyl-2-oxo-propyl disulfide
FEMA Number4696
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)122861-78-3 ; 1-(METHYLDITHIO)-2-PROPANONE

Physical Properties

Appearance colorless clear liquid (est)
Assay 90.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.13200 to 1.14500 @ 25.00 °C.
Pounds per Gallon - (est). 9.419 to 9.528
Refractive Index 1.52400 @ 20.00 °C.
Boiling Point 189.00 to 190.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.583000 mmHg @ 25.00 °C. (est)
Flash Point 158.00 °F. TCC ( 70.10 °C. ) (est)
logP (o/w) 1.790 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 0.10 % in dipropylene 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

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)0.061 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)170 (μg/person/day)
Threshold of Concern90 (μg/person/day)
Structure ClassIII
baked goods0.50000
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes0.50000
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies0.50000
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products0.50000
milk products-
nut products-
other grains-
poultry0.50000
processed fruits-
processed vegetables0.50000
reconstituted vegetables-
seasonings / flavors0.50000
snack foods0.50000
soft candy-
soups0.50000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)-
Fats and oils, and fat emulsions (type water-in-oil) (02.0)-
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)0.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)-
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)-
Bakery wares (07.0)1.00000
Meat and meat products, including poultry and game (08.0)0.60000
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)1.50000
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)0.50000
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

salmon PMC sesame seed roasted

Synonyms

methyl 2-oxopropyl disulfide methyl-2-oxo-propyl disulfide 1-( methyldisulfanyl)acetone 1-( methyldisulfanyl)propan-2-one 1- methyldisulfanylpropan-2-one 1- methyldithio-2-propanone 1-( methyldithio)-2-propanone 1-( methyldithio)acetone 1-( methyldithio)propan-2-one 2- propanone, 1-(methyldithio)- Leffingwell & Associates: Flavor Properties of FEMA GRAS List 25 flavor chemicals