| Identification | More | [Name]
4-Mercapto-4-methylpentan-2-one | [CAS]
19872-52-7 | [Synonyms]
2-MERCAPTO-2-METHYLPENTAN-4-ONE
2-METHYL-4-OXOPENTANE-2-THIOL
4-MERCAPTO-4-METHYL-2-PENTANONE
4-MERCAPTO-4-METHYLPENTAN-2-ONE
4-METHYL-4-MERCAPTO-2-PENTANONE
4-METHYL-4-MERCAPTOPENTAN-2-ONE
CAT KETONE
FEMA 3997
METHYLMERCAPTOPENTANONE
2-Pentanone, 4-mercapto-4-methyl-
4-mercapto-4-methyl-2-pentanon
4-Methyl-4-sulfanyl-2-pentanone
4-Methyl-4-thiolpentan-2-one
4-sulfanyl-4-methylpentan-2-one
4-Sulphanyl-4-methylpentan-2-one
4-METHYL-4-MERCAPTAN-2-PENTANONE
4-METHYL-4-MERCAPTOPENTAN-2-ONE 1% IN PG
4-METHYL-4-MERCAPTOPENTAN-2-ONE PURE
4-Methyl-4-mercaptopentane-2-one | [EINECS(EC#)]
243-386-8 | [Molecular Formula]
C6H12OS | [MDL Number]
MFCD00085208 | [Molecular Weight]
132.22 | [MOL File]
19872-52-7.mol |
| Chemical Properties | Back Directory | [Boiling point ]
174℃ | [density ]
0.961 | [FEMA ]
3997 | [Fp ]
54 °C | [refractive index ]
1.4620 | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform (Soluble), Methanol (Slightly) | [form ]
clear liquid | [pka]
10.32±0.25(Predicted) | [color ]
Colorless to Light yellow | [Odor]
at 0.10 % in propylene glycol. sulfurous meaty catty black currant | [Odor Type]
sulfurous | [Water Solubility ]
Soluble in water. | [Sensitive ]
Air Sensitive | [JECFA Number]
1293 | [Stability:]
Hygroscopic | [InChI]
1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 | [InChIKey]
QRNZMFDCKKEPSX-UHFFFAOYSA-N | [SMILES]
CC(=O)CC(C)(C)S | [LogP]
1.23 | [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]
19872-52-7(EPA Substance) |
| Safety Data | Back Directory | [Risk Statements ]
10-36/37/38 | [Safety Statements ]
26 | [WGK Germany ]
WGK 3 | [TSCA ]
Yes | [HS Code ]
2930.90.9250 | [HazardClass ]
3 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [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. | [Uses]
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). |
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