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222771

Sigma-Aldrich

4-(Methylthio)benzaldehyde

95%

Synonym(s):

4-(Methylmercapto)benzaldehyde

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About This Item

Linear Formula:
CH3SC6H4CHO
CAS Number:
3446-89-7
Molecular Weight:
152.21
Beilstein:
636158
EC Number:
222-365-7
MDL number:
MFCD00006948
UNSPSC Code:
12352100
PubChem Substance ID:
24853354
NACRES:
NA.22

Quality Level

100

Assay

95%

form

liquid

refractive index

n20/D 1.646 (lit.)

bp

86-90 °C/1 mmHg (lit.)

density

1.144 g/mL at 25 °C (lit.)

functional group

aldehyde
thioether

SMILES string

[H]C(=O)c1ccc(SC)cc1

InChI

1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3

InChI key

QRVYABWJVXXOTN-UHFFFAOYSA-N

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Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ5324
MKCJ0828
MKCG1873
MKCG0715
MKCF5097

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S S Shin et al.
Bioorganic & medicinal chemistry letters, 11(2), 165-168 (2001-02-24)
A series of 2,2-dimethyl-5-[4-(methylsulfonyl)phenyl]-4-phenyl-3(2H)furanones was prepared and evaluated for their ability to inhibit cyclo-oxygenase-2 (COX-2).
Coraline Simon et al.
Toxicology in vitro : an international journal published in association with BIBRA, 37, 121-133 (2016-10-19)
Endocrine activity of 65 compounds migrating from polycarbonate replacement plastic baby bottles was assessed using in vitro cell based assays (reporter gene assays) involving 7 nuclear receptors, i.e. human steroid hormones receptors (oestrogen, androgen, progesterone and glucocorticoid receptors), human thyroid
Matthias Onghena et al.
Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 31(12), 2090-2102 (2014-11-20)
In 2011, the European Union prohibited the production of polycarbonate (PC) baby bottles due to the toxic effects of the PC monomer bisphenol-A. Therefore, baby bottles made of alternative materials, e.g. polypropylene (PP) or polyethersulphone (PES), are currently marketed. The

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