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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
Pricing and availability is not currently available.

biological source

synthetic

Quality Level

300

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)
Yi-Ge Zhou et al.
Chemical communications (Cambridge, England), 48(19), 2510-2512 (2012-01-27)
The use of particle-impact coulometry in identifying and quantifying nanoparticles tagged (or labelled) with electroactive molecules is demonstrated via the detection of 1,4-nitrothiophenol-tagged silver nanoparticles in aqueous dispersion at potentials more negative than -0.17 V (vs. Ag/AgCl, the reduction potential
Masaru Aoki et al.
Physical chemistry chemical physics : PCCP, 14(12), 4101-4108 (2012-02-18)
Valence electronic states of benzenethiol (C(6)H(5)SH) and benzeneselenol (C(6)H(5)SeH) in the gas, condensed, and chemisorbed phases were examined by ultraviolet photoemission spectroscopy, metastable atom electron spectroscopy, and first-principles calculations using density functional theory. C(6)H(5)SH is chemisorbed on Pt(111) and Au(111)
Avelino Corma et al.
Nature chemistry, 5(9), 775-781 (2013-08-24)
The catalytic activity of gold depends on particle size, with the reactivity increasing as the particle diameter decreases. However, investigations into behaviour in the subnanometre regime (where gold exists as small clusters of a few atoms) began only recently with
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