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

4-Mercapto-4-methylpentan-2-one Structural

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.