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: 2024-07-16 15:11:44
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
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