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Merck
CN

W325600

Benzothiazole

≥96%, FG

Synonym(s):

1-thia-3-azaindene, Vangard BT

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About This Item

Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
95-16-9
Molecular Weight:
135.19
FEMA Number:
3256
Council of Europe no.:
11594
UNSPSC Code:
12164502
PubChem Substance ID:
24901589
Flavis number:
15.016
EC Number:
202-396-2
NACRES:
NA.21
MDL number:
MFCD00005775
Beilstein/REAXYS Number:
109468
Organoleptic:
coffee; meaty; vegetable; brown; nutty; sulfurous
Grade:
FG
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

Benzothiazole, ≥96%, FG

SMILES string

c1ccc2scnc2c1

InChI key

IOJUPLGTWVMSFF-UHFFFAOYSA-N

InChI

1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

biological source

synthetic

grade

FG

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002

vapor density

4.66 (vs air)

vapor pressure

34 mmHg ( 131 °C)

assay

≥96%

impurities

≤0.1% aniline

refractive index

n20/D 1.642 (lit.)

bp

231 °C (lit.)

mp

2 °C (lit.)

density

1.238 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

coffee; meaty; vegetable; brown; nutty; sulfurous

Quality Level

300

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Related Categories

Application


  • Modulating mycobacterial envelope integrity for antibiotic synergy with benzothiazoles.: This publication explores the role of benzothiazoles in enhancing antibiotic efficacy against mycobacteria. The study provides insights into how chemical modification of microbial cell envelopes can improve drug delivery and efficacy (Habjan et al., 2024).

  • An activatable fluorescence probe for rapid detection and in situ imaging of β-galactosidase activity in cabbage roots under heavy metal stress.: This research uses benzothiazole-based probes for real-time and in situ imaging of enzyme activity in plants under stress conditions, facilitating the study of environmental stress impacts on plant physiology and providing a tool for agricultural biotechnology (Zhao et al., 2024).

General description

Benzothiazole, a volatile sulfur-containing heterocyclic compound, is one of the key odorants of heated milk. It is also reported to occur as a flavor component of miso, coconut meat and cooked-beef.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

224.6 °F - Pensky-Martens closed cup

flash_point_c

107 °C - Pensky-Martens closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ3176
SHBQ0484
STBK1332
STBJ7746
STBJ4079

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Thermal generation of sulfur-containing flavor compounds in beef.
Vercellotti JR, et al.
ACS Symp. Ser., 409, 452?459-452?459 (1989)
Flavor components of miso: basic fraction.
Mori Y, et al.
Agricultural and Biological Chemistry, 47(7), 1487-1492 (1983)
Gas chromatography olfactometry (GC/O) of dairy products.
Friedrich JE & Acree TE.
International dairy journal, 8(3), 235-241 (1998)
Ahmed Kamal et al.
Bioorganic & medicinal chemistry, 20(11), 3480-3492 (2012-05-01)
A series of chalcone-amidobenzothiazole conjugates (9a-k and 10a,b) have been synthesized and evaluated for their anticancer activity. All these compounds exhibited potent activity and the IC(50) of two potential compounds (9a and 9f) against different cancer cell lines are in
Thanh Binh Nguyen et al.
Angewandte Chemie (International ed. in English), 53(50), 13808-13812 (2014-10-10)
The disproportionation of elemental sulfur at moderate temperatures is investigated in the redox condensation involving o-halonitrobenzenes 1 and benzylamines 2. As a redox moderator, elemental sulfur plays the dual role of both electron donor and acceptor, generating its lowest and
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