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W214701

Sigma-Aldrich

Benzyl mercaptan

99%, FG

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
FEMA Number:
2147
Beilstein/REAXYS Number:
605864
EC Number:
202-862-5
Council of Europe no.:
477
MDL number:
MFCD00004867
UNSPSC Code:
12164502
PubChem Substance ID:
24900884
Flavis number:
12.005
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Kosher

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

>4 (vs air)

assay

99%

impurities

≤0.0890% Toluene, residual

refractive index

n20/D 1.575 (lit.)

bp

194-195 °C (lit.)

density

1.058 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

garlic; onion; alliaceous; sulfurous

SMILES string

SCc1ccccc1

InChI

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

InChI key

UENWRTRMUIOCKN-UHFFFAOYSA-N

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pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

signalword

Danger

Hazard Classifications

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

wgk_germany

WGK 3

ppe

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

Certificates of Analysis (COA)

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Burdock GA
Encyclopedia of Food and Color Additives, 1, 272-272 (1997)
Burdock GA
Encyclopedia of Food and Color Additives, 1, 272-272 (1997)
Precursors of sulfur?containing flavor compounds
Schutte L & Teranishi R
Critical Reviews in Food Science and Nutrition, 4(4), 457-505 (1974)
Kenji Matsuno et al.
Bioorganic & medicinal chemistry letters, 20(17), 5126-5129 (2010-08-07)
S-benzylisothiourea 3a was discovered by its ability to inhibit indoleamine-2,3-dioxygenase (IDO) in our screening program. Subsequent optimization of the initial hit 3a lead to the identification of sub-muM inhibitors 3r and 10h, both of which suppressed kynurenine production in A431
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
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