4-(methyl thio)-2-pentanone

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4-(methylthio)-2-pentanone

CAS: 143764-28-7 C6 H12 O S MW: 132.22584000

Identification

Name4-(methyl thio)-2-pentanone
IUPAC4-methylsulfanylpentan-2-one
CAS Number143764-28-7
FDA UNIIV3J5V0HD9K
Molecular FormulaC6 H12 O S
Molecular Weight132.22584000
Nikkaji NumberJ740.288K

Regulatory

JECFA Food Flavoring1689 4-(methylthio)-2-pentanone
DG SANTE Food Flavourings12.286 4-(methylthio)-2-pentanone
FEMA Number4182
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)143764-28-7 ; 4-(METHYLTHIO)-2-PENTANONE

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 98.00 to 100.00
Additional Assay Information racemate
Food Chemicals Codex Listed No
Specific Gravity 0.96900 to 0.97900 @ 25.00 °C.
Pounds per Gallon - (est). 8.063 to 8.146
Refractive Index 1.46800 to 1.47200 @ 20.00 °C.
Boiling Point 183.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.475000 mmHg @ 25.00 °C. (est)
Flash Point 160.00 °F. TCC ( 71.11 °C. )
logP (o/w) 1.053 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description pungent

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 4-(methyl thio)-2-pentanone usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.01 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)430 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods0.80000
beverages(nonalcoholic)0.50000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy0.50000
fruit ices-
gelatins / puddings0.50000
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products0.20000
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)0.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)-
Edible ices, including sherbet and sorbet (03.0)0.50000
Processed fruit (04.1)-
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)0.80000
Meat and meat products, including poultry and game (08.0)0.20000
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)-
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)-
Ready-to-eat savouries (15.0)-
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.50000

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

4-( methylsulfanyl)pentan-2-one 4- methylsulfanylpentan-2-one 4-( methylthio)-2-pentanone 4-( methylthio)pentan-2-one 2- pentanone, 4-(methylthio)- Try the PubMed Search.