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Safety Information

W337609

Sigma-Aldrich

4-Methylthio-4-methyl-2-pentanone

≥98%, FG

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Synonym(s):
cassis pentanone
Linear Formula:
CH3SC(CH3)2CH2COCH3
CAS Number:
Molecular Weight:
146.25
FEMA Number:
3376
EC Number:
Council of Europe no.:
11551
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
12.058
NACRES:
NA.21

biological source

synthetic

Quality Level

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

Related Categories

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).

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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.
Jofre VP, et al.
Analytica Chimica Acta, 683(1), 126-135 (2010)
Precursors of sulfur?containing flavor compounds
Schutte L & Teranishi R
Critical Reviews in Food Science and Nutrition, 4(4), 457-505 (1974)

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