4-mercapto-2-pentanone 1% in acetoin
4,2-thiopentanone 1% in acetoin
Identification
| Name | 4-mercapto-2-pentanone 1% in acetoin |
| CAS Number | 92585-08-5 |
| FDA UNII | 8646NA32I8 |
| Molecular Formula | C5 H10 O S |
| Molecular Weight | 118.19890000 |
| Nikkaji Number | J1.716.667K |
Regulatory
| JECFA Food Flavoring | 1670 4-mercapto-2-pentanone 1% in acetoin |
| DG SANTE Food Flavourings | 12.264 4,2-thiopentanone 1% in acetoin |
| FEMA Number | 4157 |
| FDA | No 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 Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 4-mercapto-2-pentanone 1% in acetoin usage levels up to | not 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 Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 10.00000 |
| beverages(nonalcoholic) | 1.00000 |
| beverages(alcoholic) | 5.00000 |
| breakfast cereal | - |
| cheese | 1.00000 |
| chewing gum | - |
| condiments / relishes | 2.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 5.00000 |
| fish products | - |
| frozen dairy | 5.00000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 2.00000 |
| hard candy | 5.00000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 3.00000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | 2.00000 |
| reconstituted vegetables | - |
| seasonings / flavors | 5.00000 |
| snack foods | 5.00000 |
| soft candy | - |
| soups | 1.00000 |
| 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) | - |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Chemical sources Association Inc
Exchange of knowledge
Need This Item for Flavor? You can contact the Chemical Sources Association.
Symrise AG
Always Insiring More
Symrise aroma molecules & cosmetic ingredients for unique and innovative fragrances, flavors and cosmetics.
Potential Uses
Natural Occurrence
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.