W337609

4-Methylthio-4-methyl-2-pentanone

≥98%, FG

• Synonym(s): cassis pentanone
• Linear Formula: CH₃SC(CH₃)₂CH₂COCH₃
• CAS Number: 23550-40-5
• Molecular Weight: 146.25
• FEMA Number: 3376
• EC Number: 245-727-6
• Council of Europe no.: 11551
• MDL number: MFCD00049253
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901675
• Flavis number: 12.058
• NACRES: NA.21
• Organoleptic: green; metallic; sulfurous
• grade: FG; Halal; Kosher
• biological source: synthetic
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher
• reg. compliance: EU Regulation 1334/2008 & 872/2012; FDA 21 CFR 110
• Assay: ≥98%
• refractive index: n20/D 1.472 (lit.)
• bp: 78 °C/15 mmHg (lit.)
• density: 0.964 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: green; metallic; sulfurous
• SMILES string: CSC(C)(C)CC(C)=O
• InChI: 1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
• InChI key: DHANVOSHQILVNQ-UHFFFAOYSA-N

Description

General description

4-Methylthio-4-methyl-2-pentanone is a volatile sulfur-containing flavor compound found in white wines.

Application

• Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry.: This paper discusses the optimization of a novel extraction technique using 4-Methylthio-4-methyl-2-pentanone for identifying sulfur compounds in wines. The methodology enhances the detection capabilities of gas chromatography-mass spectrometry, offering significant improvements in food safety and quality control (Silva MF et al., 2010).

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves