4-mercapto-2-pentanone 1% in acetoin

4,2-thiopentanone 1% in acetoin

CAS: 92585-08-5 C5 H10 O S MW: 118.19890000 meaty

Identification

Name4-mercapto-2-pentanone 1% in acetoin
CAS Number92585-08-5
FDA UNII8646NA32I8
Molecular FormulaC5 H10 O S
Molecular Weight118.19890000
Nikkaji NumberJ1.716.667K

Regulatory

JECFA Food Flavoring1670 4-mercapto-2-pentanone 1% in acetoin
DG SANTE Food Flavourings12.264 4,2-thiopentanone 1% in acetoin
FEMA Number4157
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)92585-08-5 ; 4-MERCAPTO-2-PENTANONE

Physical Properties

Appearance colorless to yellow clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.15400 to 1.15800 @ 25.00 °C.
Pounds per Gallon - (est). 9.602 to 9.636
Refractive Index 1.43700 to 1.44300 @ 20.00 °C.
Boiling Point 258.00 to 260.00 °C. @ 760.00 mm Hg
Vapor Pressure 1.297000 mmHg @ 25.00 °C. (est)
Flash Point 137.00 °F. TCC ( 58.33 °C. )
logP (o/w) 1.021 (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 4-mercapto-2-pentanone 1% in acetoin 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)0.07 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)2000 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods10.00000
beverages(nonalcoholic)1.00000
beverages(alcoholic)5.00000
breakfast cereal-
cheese1.00000
chewing gum-
condiments / relishes2.00000
confectionery froastings-
egg products-
fats / oils5.00000
fish products-
frozen dairy5.00000
fruit ices-
gelatins / puddings-
granulated sugar-
gravies2.00000
hard candy5.00000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products3.00000
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables2.00000
reconstituted vegetables-
seasonings / flavors5.00000
snack foods5.00000
soft candy-
soups1.00000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)5.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)2.00000
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)10.00000
Meat and meat products, including poultry and game (08.0)3.00000
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)5.00000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)1.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)5.00000
Ready-to-eat savouries (15.0)5.00000
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

FL bacon FL beef FL beef roasted beef FL chicken FR hawthorn FL lamb FL liver FL meat FL meat grilled meat FL meat roasted meat FL meat smoked meat FL pork FL salami FL turkey

Natural Occurrence

beer PMC wine

Synonyms

4- mercapto-2-pentanone 4- mercaptopentan-2-one 4- mercaptopentan-2-one 1% in acetoin pentan-2-one, 4-mercapto- 2- pentanone, 4-mercapto- 4- sulfanylpentan-2-one 4- sulfanylpentan-2-one 1% in acetoin 4,2- thiopentanone 1% in acetoin PubMed: Reinvestigation of the Absolute Configurations of Chiral β-Mercaptoalkanones Using Vibrational Circular Dichroism and (1)H NMR Analysis. PubMed: Chemosensory characterization of Chardonnay and Pinot Noir base wines of Champagne. Two very different varieties for a common product. PubMed: Analysis, occurrence, and potential sensory significance of five polyfunctional mercaptans in white wines. PubMed: Evolution of S-cysteinylated and S-glutathionylated thiol precursors during oxidation of Melon B. and Sauvignon blanc musts. PubMed: Validation of a nanoliquid chromatography-tandem mass spectrometry method for the identification and the accurate quantification by isotopic dilution of glutathionylated and cysteinylated precursors of 3-mercaptohexan-1-ol and 4-mercapto-4-methylpentan-2-one in white grape juices. PubMed: Improved method to quantitatively determine powerful odorant volatile thiols in wine by headspace solid-phase microextraction after derivatization. PubMed: Novel character impact compounds in Yuzu (Citrus junos Sieb. ex Tanaka) peel oil. PubMed: Characterization of the aroma of a wine from maccabeo. Key role played by compounds with low odor activity values. PubMed: Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium quality spanish aged red wines. PubMed: Impact odorants of different young white wines from the Canary Islands. PubMed: Effect of chloroquine on cultured fibroblasts: release of lysosomal hydrolases and inhibition of their uptake.