4-Mercapto-4-methylpentan-2-one
Synonym(s):4-Methyl-4-mercaptopentan-2-one
- CAS NO.：19872-52-7
- Empirical Formula: C6H12OS
- Molecular Weight: 132.22
- MDL number: MFCD00085208
- EINECS: 243-386-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-04-03 14:17:14
What is 4-Mercapto-4-methylpentan-2-one?
Chemical properties
4-Mercapto-4-methyl-2-pentanone is repellent when neat or in high concentrations. It has a meaty, black currant-like odor. It is used to create the “catty note” (cat-like) of black currant.
Occurrence
Reportedly present in sauvignon grapes, cabernet sauvignon wine, beer, green tea and grapefruit juice.
The Uses of 4-Mercapto-4-methylpentan-2-one
4-Mercapto-4-methyl-2-pentanone is one of the most strongly contributing odorants in the volatile fraction of a Japanese green tea (sen-cha) infusion, and on the basis of the results of an aroma extract dilution analysis. 4-mercapto-4-methyl-2-pentanone in the grapefruit/sulfury group was found in reconstituted concentrate after thermal concentration.
Definition
ChEBI: An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.
Aroma threshold values
Odor threshold in water, 0.0001 to 0.005 ppb (for 2-mercapto-2-methyl-4-pentanone).
Properties of 4-Mercapto-4-methylpentan-2-one
| Boiling point: | 174℃ |
| Density | 0.961 |
| FEMA | 3997 | 4-MERCAPTO-4-METHYL-2-PENTANONE |
| refractive index | 1.4620 |
| Flash point: | 54 °C |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform (Soluble), Methanol (Slightly) |
| pka | 10.32±0.25(Predicted) |
| form | clear liquid |
| color | Colorless to Light yellow |
| Odor | at 0.10 % in propylene glycol. sulfurous meaty catty black currant |
| Water Solubility | Soluble in water. |
| Sensitive | Air Sensitive |
| JECFA Number | 1293 |
| Stability: | Hygroscopic |
| CAS DataBase Reference | 19872-52-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Pentanone, 4-mercapto-4-methyl-(19872-52-7) |
| EPA Substance Registry System | 2-Pentanone, 4-mercapto-4-methyl- (19872-52-7) |
Safety information for 4-Mercapto-4-methylpentan-2-one
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Mercapto-4-methylpentan-2-one
New Products
6-Methyl-2-(p-tolyl)imidazo[1,2-a]pyridine 4-FLUOROBENZOYLACETONITRILE (S)-Glycidyl Phthalimide Maleic hydrazide 8-Bromo-3-methyl xanthine 5-Chlorothiophene-2-carboxylic acid 4'-Hydroxyacetophenone 3-Bromophenylacetic acid Tridecanoic acid Pentadecanoic acid 3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID Hendecanoic acid 2,3-Dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-1H-inden-1-one hydrochloride 4-pyridine methanol Ethyl 3,3- diethoxypropionate 5-Bromo-pyridine-2-carbaldehyde 1-Bromo-3-phenylpropane 4-(4-Methylpiperazino)aniline 2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate N-((S)-1-(3-(3-amino-4-chloro-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide Methyl 2-(1-methyl-1H-pyrrol-2-yl)acetate 4-bromo-2-ethyl-3-fluorobenzoic acid 6-(chloromethyl)pteridine-2,4-diamine monohydrochloride 2-Chlorophenyl diphenyl chloromethaneRelated products of tetrahydrofuran
You may like
-
4-Mercapto-4-methyl-2-pentanone CAS 19872-52-7View Details
19872-52-7 -
2-Methyl-4-oxopentane-2-thiol CAS 19872-52-7View Details
19872-52-7 -
1878-67-7 3-Bromophenylacetic acid 98+View Details
1878-67-7 -
1878-67-7 3-Bromophenylacetic acid 98+View Details
1878-67-7 -
638-53-9 98+View Details
638-53-9 -
Hendecanoic acid 98+View Details
112-37-8 -
3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID 117391-49-8 98+View Details
117391-49-8 -
1002-84-2 Pentadecanoic acid 98+View Details
1002-84-2
Statement: All products displayed on this website are only used for non medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.