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W361607

Sigma-Aldrich

Benzenethiol

≥98%, FG

Synonym(s):

Thiophenol, Benzenethiol, Phenyl mercaptan

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About This Item

Linear Formula:
C6H5SH
CAS Number:
108-98-5
Molecular Weight:
110.18
FEMA Number:
3616
Beilstein:
506523
EC Number:
203-635-3
Council of Europe no.:
11585
MDL number:
MFCD00004826
UNSPSC Code:
12164502
PubChem Substance ID:
24901811
Flavis number:
12.080
NACRES:
NA.21
grade:
FG
Kosher
biological source:
synthetic
food allergen:
no known allergens

biological source

synthetic

grade

FG
Kosher

reg. compliance

EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 172.515

vapor density

3.8 (vs air)

vapor pressure

1.4 mmHg ( 20 °C)

Assay

≥98%

refractive index

n20/D 1.588 (lit.)

bp

169 °C (lit.)

mp

−15 °C (lit.)

density

1.073 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

meaty; sulfurous

SMILES string

Sc1ccccc1

InChI

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

InChI key

RMVRSNDYEFQCLF-UHFFFAOYSA-N

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General description

Benzenethiol is a volatile sulfur compound that is reported to contribute to meat flavor.[1][2]

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

122.0 °F - closed cup

Flash Point(C)

50 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCH7429
MKCG5358
MKCC8816
MKBT9191V
MKBS8798V

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Volatile sulfur compounds contributing to meat flavour. Part. I. Components identified in boiled meat.
Garbusov V, et al.
Molecular Nutrition And Food Research, 20(3), 235-241 (1976)
Volatile alkylphenols and thiophenol in species?related characterizing flavors of red meats
a J & Lindsay RC
Journal of Food Science, 56(5), 1197-1202 (1991)
Run Zhang et al.
Bioconjugate chemistry, 23(4), 725-733 (2012-03-23)
Ruthenium(II) complexes have rich photophysical attributes, which enable novel design of responsive luminescence probes to selectively quantify biochemical analytes. In this work, we developed a systematic series of Ru(II)-bipyrindine complex derivatives, [Ru(bpy)(3-n)(DNP-bpy)(n)](PF(6))(2) (n = 1, 2, 3; bpy, 2,2'-bipyridine; DNP-bpy
Dnyaneshwar Kand et al.
The Analyst, 137(17), 3921-3924 (2012-07-04)
A BODIPY-based selective thiophenol probe capable of discriminating aliphatic thiols is reported. The fluorescence off-on effect upon reaction with thiol is elucidated with theoretical calculations. The sensing of thiophenol is associated with a color change from red to yellow and
Mengtao Sun et al.
Physical review. E, Statistical, nonlinear, and soft matter physics, 87(2), 020401-020401 (2013-03-19)
Using p-aminothiophenol (PATP) molecules on a gold substrate and high-vacuum tip-enhanced Raman spectroscopy (HV-TERS), we show that the vibrational spectra of these molecules are distinctly different from those in typical surface-enhanced Raman spectroscopy. Detailed first-principles calculations help to assign the
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