4-Mercapto-4-methyl-2-pentanone, 98%

Description

CAS: 19872-52-7 | C6H12OS | 132.221 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Soluble in water.

Notes
Air Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 19872-52-7
• Molecular Formula: C6H12OS
• Molecular Weight (g/mol): 132.221
• MDL Number: MFCD00085208
• InChI Key: QRNZMFDCKKEPSX-UHFFFAOYSA-N
• Synonym: 4-mercapto-4-methyl-2-pentanone, 4-mercapto-4-methylpentan-2-one, 2-pentanone, 4-mercapto-4-methyl, 4-methyl-4-thiolpentan-2-one, 4-methyl-4-mercapto-2-pentanone, 4-methyl-4-mercaptopentan-2-one, unii-9524rg5zql, 4-methyl-4-sulfanyl-2-pentanone, 4-sulfanyl-4-methylpentan-2-one, 4-sulphanyl-4-methylpentan-2-one
• PubChem CID: 88290
• ChEBI: CHEBI:77856
• IUPAC Name: 4-methyl-4-sulfanylpentan-2-one
• SMILES: CC(=O)CC(C)(C)S

• Density: 0.961
• Boiling Point: 174°C
• Flash Point: 54°C (129°F)
• Odor: Unpleasant
• Refractive Index: 1.462
• Quantity: 5 g
• UN Number: UN3336
• Sensitivity: Air Sensitive
• Solubility Information: Soluble in water.
• Formula Weight: 132.23
• Percent Purity: 98%
• Chemical Name or Material: 4-Mercapto-4-methyl-2-pentanone

Safety and Handling

Hazard Category	H226-H319-H335
Hazard Statement	GHS H Statement H226-H319-H335 Flammable liquid and vapor. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: III; Proper Shipping Name: MERCAPTANS, LIQUID, FLAMMABLE, N.O.S.
EINECSNumber	243-386-8
TSCA	Yes
Recommended Storage	Store at -20°C; Store under Nitrogen

SDS

RUO – Research Use Only