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Merck
CN

13540

Benzyl mercaptan

purum, ≥99.0% (GC)

Synonym(s):

α-Toluenethiol, α-Tolyl mercaptan, Benzenemethanethiol

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About This Item

Linear Formula:
C6H5CH2SH
CAS Number:
100-53-8
Molecular Weight:
124.20
UNSPSC Code:
12352100
PubChem Substance ID:
329750210
EC Number:
202-862-5
Beilstein/REAXYS Number:
605864
MDL number:
MFCD00004867
Assay:
≥99.0% (GC)
Form:
liquid

Key Documents

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SMILES string

O=C1C2=C(C=CC=C2)C(C1C3=NC4=CC=CC=C4C=C3)=O, SCc1ccccc1

InChI

1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

InChI key

UENWRTRMUIOCKN-UHFFFAOYSA-N

vapor density

>4 (vs air)

grade

purum

assay

≥99.0% (GC)

form

liquid

refractive index

n20/D 1.576

bp

194-195 °C (lit.)

density

1.058 g/mL at 25 °C (lit.)

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Other Notes

This product has been replaced by B25401-ALDRICH | Benzyl mercaptan 99%

pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

158.0 °F - closed cup

flash_point_c

70 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Minglu Gao et al.
PLoS pathogens, 16(7), e1008595-e1008595 (2020-07-07)
Sarocladium zeae is a fungal endophyte of maize and can be found co-inhabiting a single seed with Fusarium verticillioides, a major mycotoxigenic food safety threat. S. zeae produces pyrrocidines A and B that inhibit the growth of F. verticillioides and
Theresa K Tiefenbrunn et al.
Protein science : a publication of the Protein Society, 18(5), 970-979 (2009-04-23)
The type 1 repeat domain from thrombospondin has potent antiangiogenic activity and a structurally interesting fold, making it an attractive target for protein engineering. Chemical synthesis is an attractive approach for studying protein domains because it enables the use of
Hai-Chao Zhou et al.
PloS one, 9(10), e107606-e107606 (2014-10-15)
Tannins from the leaves of a medicinal mangrove plant, Ceriops tagal, were purified and fractionated on Sephadex LH-20 columns. 13C nuclear magnetic resonance (13C-NMR), reversed/normal high performance liquid chromatography electrospray ionization mass spectrometry (HPLC-ESI MS) and matrix-assisted laser desorption/ionization time-of-flight

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