Identification

Namebenzothiazole
IUPAC1,3-benzothiazole
CAS Number95-16-9
EINECS202-396-2
FDA UNIIG5BW2593EP
Molecular FormulaC7 H5 N S
Molecular Weight135.18885000
MDL NumberMFCD00005775
Nikkaji NumberJ40.177C
Beilstein0109468
CoE Number11594
XlogP32.00 (est)

Regulatory

JECFA Food Flavoring1040 benzothiazole
DG SANTE Food Flavourings15.016 benzothiazole
FEMA Number3256
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)95-16-9 ; BENZOTHIAZOLE

Physical Properties

Appearance yellow to brown clear liquid (est)
Assay 96.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.24600 to 1.25100 @ 20.00 °C.
Pounds per Gallon - (est). 10.380 to 10.422
Refractive Index 1.63900 to 1.64500 @ 20.00 °C.
Melting Point 2.00 °C. @ 760.00 mm Hg
Boiling Point 231.00 to 233.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.014000 mmHg @ 25.00 °C.
Vapor Density 4.66 ( Air = 1 )
Flash Point > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w) 2.010
Soluble in acetone
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description
at 0.10 % in propylene glycol.
Sulfureous, rubbery, vegetative, cooked, brown, nutty, coffee-like and meaty
Sulphurous, rubbery, vegetable, cooked, nutty, coffee-like, meaty
Like quinoline odor, rubber, vegetable
Taste Description at 3.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicitygavage-mouse LD50 [sex: M,F] 900 mg/kg
Dermal Toxicityskin-rabbit LDLo 200 mg/kg
Inhalation Toxicityinhalation-rat LC > 1400 mg/m3/6H

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Maximised Survey-derived Daily Intakes (MSDI-EU)1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.20 (μg/capita/day)
Structure ClassIII
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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Potential Uses

FL caramel FL chocolate cocoa FL coffee FL garlic FL meat FL onion FL potato FL tomato

Natural Occurrence

asparagus cassie absolute @ trace% Data cichorium intybus l. root extract @ trace% Data cocoa cranberry fruit guava fruit mango fruit mangrove bark red oil cuba @ 0.10% Data persea americana mill. fruit oil cuba @ trace% Data persimmon american persimmon fruit potato plant safflower flower safflower leaf star fruit oil cuba @ trace% Data tea leaf ulva rigida oil greece @ 2.90% Data PMC whiskey malt whiskey PMC

Synonyms

benzo thiazole benzo[d]thiazole benzosulfonazole 1,3- benzothiazol 1,3- benzothiazole 1- thia-3-azaindene vangard BT PubMed: Chrysin-benzothiazole conjugates as antioxidant and anticancer agents. PubMed: New synthesis and biological evaluation of benzothiazole derivates as antifungal agents. PubMed: Benzotriazoles and benzothiazoles in human urine from several countries: a perspective on occurrence, biotransformation, and human exposure. PubMed: Development and application of an LC-MS method to determine possible migration of mercaptobenzothiazole, benzothiazole and related vulcanization residues from rubber used in contact with food and drink. PubMed: Microbiological and physicochemical analysis of pumpkin juice fermentation by the basidiomycetous fungus Ganoderma lucidum. PubMed: Analysis of benzothiazole in Italian wines using headspace solid-phase microextraction and gas chromatography-mass spectrometry. PubMed: Discovery of benzothiazole derivatives as efficacious and enterocyte-specific MTP inhibitors. PubMed: Effects of benzothiazole on the xenobiotic metabolizing enzymes and metabolism of acetaminophen. PubMed: Thioflavin T effect in diabetic Wistar rats: reporting the antihyperglycemic property of an amyloid probing dye. PubMed: Riluzole as a neuroprotective drug for spinal cord injury: from bench to bedside. PubMed: Elucidation of key aroma compounds in traditional dry fermented sausages using different extraction techniques. PubMed: Access to a new class of biologically active quinoline based 1,2,4-triazoles. PubMed: Riluzole for acute traumatic spinal cord injury: a promising neuroprotective treatment strategy. PubMed: Determination of sulfur and nitrogen compounds during the processing of dry fermented sausages and their relation to amino acid generation. PubMed: Removal of the 2-mercaptobenotiazole from model wastewater by ozonation. PubMed: Discovery of the highly potent fluoroquinolone-based benzothiazolyl-4-thiazolidinone hybrids as antibacterials. PubMed: Safety, tolerability, and pharmacokinetics of KNS-760704 (dexpramipexole) in healthy adult subjects. PubMed: Evolution of Volatile Sulfur Compounds during Wine Fermentation. PubMed: Identification of volatile markers in potato brown rot and ring rot by combined GC-MS and PTR-MS techniques: study on in vitro and in vivo samples. PubMed: Chemical analysis and genotoxicological safety assessment of paper and paperboard used for food packaging. PubMed: Isolation and characterization of new p-Terphenyls with antifungal, antibacterial, and antioxidant activities from halophilic actinomycete Nocardiopsis gilva YIM 90087. PubMed: Multivariate analysis of volatile compounds detected by headspace solid-phase microextraction/gas chromatography: A tool for sensory classification of cork stoppers. PubMed: Variation of some fermentative sulfur compounds in Italian "millesime" classic sparkling wines during aging and storage on lees. PubMed: Design, synthesis, and 3D-QSAR analysis of novel 1,3,4-oxadiazol-2(3H)-ones as protoporphyrinogen oxidase inhibitors. PubMed: Apoptosis induced by 2-acetyl-3-(6-methoxybenzothiazo)-2-yl-amino-acrylonitrile in human leukemia cells involves ROS-mitochondrial mediated death signaling and activation of p38 MAPK. PubMed: Aging effects and grape variety dependence on the content of sulfur volatiles in wine. PubMed: Design, synthesis, and fungicidal activities of new strobilurin derivatives. PubMed: Effects of coffee components on the response of GABA(A) receptors expressed in Xenopus oocytes. PubMed: Volatile components of the cyanobacterium Oscillatoria perornata (Skuja).