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Merck

09286

Thiophenol

analytical standard

Synonym(s):

Benzenethiol, Phenyl mercaptan

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About This Item

Linear Formula:
C6H5SH
CAS Number:
108-98-5
Molecular Weight:
110.18
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329748755
EC Number:
203-635-3
Beilstein/REAXYS Number:
506523
MDL number:
MFCD00004826

Key Documents

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InChI key

RMVRSNDYEFQCLF-UHFFFAOYSA-N

InChI

1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H

SMILES string

Sc1ccccc1

grade

analytical standard

vapor density

3.8 (vs air)

vapor pressure

1.4 mmHg ( 20 °C)

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

Quality Level

100

bp

169 °C (lit.)

mp

−15 °C (lit.)

density

1.073 g/mL at 25 °C (lit.)

application(s)

agriculture
cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

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Related Categories

General description

Thiophenol is an organosulfur compound, which is used as a raw material for the syntheses of pesticides, polymers, and pharmaceuticals.

Application

Thiophenol may be used as an analytical reference standard for the quantification of the analyte in water samples using chromatography techniques.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Repr. 2 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

122.0 °F - closed cup

flash_point_c

50 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM7401
BCCH3530
BCCJ2378
BCCF8507
BCCC8027

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Deep eutectic solvent-based emulsification liquid?liquid microextraction coupled with gas chromatography for the determination of thiophenols in water samples
Babaee S, et al.
Analytical Methods : Advancing Methods and Applications, 11(12), 1663-1670 (2019)
Mohammad Reza Nabid et al.
Journal of hazardous materials, 203-204, 93-100 (2011-12-31)
A new method which utilizes a multiwalled carbon nanotubes/poly(2-amino thiophenol) nanocomposites as an effective sorbents in solid-phase extraction has been developed for separation and preconcentration of Cd(II) and Pb(II) trace levels in environmental samples. The method is based on the
Yuka Ogata et al.
Environmental science & technology, 47(2), 1017-1023 (2012-12-12)
Recently, we showed that Sphingobium fuliginis OMI utilizes 4-tert-butylphenol as a sole carbon and energy source via phenolic ring hydroxylation followed by a meta-cleavage pathway, and that this strain can degrade various alkylphenols. Here, we showed that strain OMI effectively
Thomas A A Oliver et al.
The journal of physical chemistry. A, 116(51), 12444-12459 (2012-11-01)
H (Rydberg) atom photofragment translation spectroscopy and high-level ab initio electronic structure calculations are used to explore the photodissociation dynamics of three para-substituted thiophenols (p-YPhSH; Y = CH(3), F, and MeO). UV excitation in the wavelength range 305 > λ(phot)
J-Q Shi et al.
Ecotoxicology and environmental safety, 78, 134-141 (2011-12-14)
The acute toxicity (-log EC(50)) to Photobacterium phosphoreum and the n-octanol/water partition coefficient (log K(ow)) of 31 kinds of substituted thiophenols were determined at 298.15K. The -log EC(50) values of studied chemicals are between 4.26 and 5.89. Their log K(ow)
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