W325600

Benzothiazole

≥96%, FG

• Synonym(s): 1-thia-3-azaindene, Vangard BT
• 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

Properties

• 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

Description

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.[1] It is also reported to occur as a flavor component of miso[2], coconut meat[3] and cooked-beef.[4]

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301 + H311,H319
• pcodes: P264 - P270 - P280 - P301 + P310 - P302 + P352 + P312 - P305 + P351 + P338
• 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