Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | yellow to brown clear liquid (est) |
Assay: | 96.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 1.24600 to 1.25100 @ 20.00 °C.
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Pounds per Gallon - (est).: | 10.380 to 10.422
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Refractive Index: | 1.63900 to 1.64500 @ 20.00 °C.
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Melting Point: | 2.00 °C. @ 760.00 mm Hg
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Boiling Point: | 231.00 to 233.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.014000 mmHg @ 25.00 °C. |
Vapor Density: | 4.66 ( Air = 1 ) |
Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. )
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logP (o/w): | 2.010 |
Soluble in: |
| acetone | | alcohol | | carbon disulfide | | water, 4300 mg/L @ 25 °C (exp) |
Insoluble in: |
| water |
Organoleptic Properties:
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Odor Type: sulfurous |
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| sulfurous rubbery vegetable cooked nutty coffee meaty |
Odor Description: at 0.10 % in propylene glycol. | sulfury rubbery vegetable cooked nutty coffee meat |
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| sulfurous rubbery vegetable cooked brown nutty coffee meaty |
Odor Description:
| Sulfureous, rubbery, vegetative, cooked, brown, nutty, coffee-like and meaty Mosciano, Gerard P&F 19, No. 3, 51, (1994) |
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Flavor Type: meaty |
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| meaty vegetable brown cooked beefy coffee |
Taste Description: at 3.00 ppm. | Meaty, vegetative, brown, cooked, beefy and coffee-like Mosciano, Gerard P&F 19, No. 3, 51, (1994) |
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Odor and/or flavor descriptions from others (if found). |
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Pell Wall Perfumes |
Benzothiazole |
Odor Description: | Sulphurous, rubbery, vegetable, cooked, nutty, coffee-like, meaty One of the extremely powerful ingredients, best thought of in the same way as the pyrazines.
Tiny traces can be used to add realism to fruity accords and to fruity florals, giving an authentic ripness not obtainable without the characteristic sulphur note.
Must be used with caution though or it can easily ruin a blend. |
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FCI SAS |
BENZOTHIAZOLE |
Odor Description: | Like quinoline odor, rubber, vegetable |
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Cosmetic Information:
Suppliers:
Ambles Nature et Chimie |
BENZOTHIAZOLE
|
Anhui Suzhou Jinli Aromatic Chemicals |
Benzo Thiazole
Odor: quinoline , rubber, vegetable |
Augustus Oils |
Benzothiazole
|
Services |
Beijing Lys Chemicals |
Benzo thiazole
|
BOC Sciences |
For experimental / research use only. |
Benzothiazole
|
EMD Millipore |
For experimental / research use only. |
Benzothiazole
|
FCI SAS |
BENZOTHIAZOLE
Odor: Like quinoline odor, rubber, vegetable |
Jinan Enlighten Chemical Technology(Wutong Aroma ) |
Benzo thiazole, Kosherk
|
Lluch Essence |
BENZOTHIAZOLE 96%
Odor: RUBBERY |
M&U International |
BENZO THIAZOLE, Kosher
|
Parchem |
benzothiazole
|
Pell Wall Perfumes |
Benzothiazole
Odor: Sulphurous, rubbery, vegetable, cooked, nutty, coffee-like, meaty Use: One of the extremely powerful ingredients, best thought of in the same way as the pyrazines.
Tiny traces can be used to add realism to fruity accords and to fruity florals, giving an authentic ripness not obtainable without the characteristic sulphur note.
Must be used with caution though or it can easily ruin a blend. |
Penta International |
BENZOTHIAZOLE
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Sigma-Aldrich |
Benzothiazole, ≥96%, FG
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Certified Food Grade Products |
Sunaux International |
Benzo Thiazole
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Synerzine |
BENZOTHIAZOLE (ULTRA-PURE)
|
Synerzine |
Benzothiazole
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TCI AMERICA |
For experimental / research use only. |
Benzothiazole >96.0%(GC)
|
Tengzhou Xiang Yuan Aroma Chemicals |
Benzothiazole
|
WholeChem |
Benzo thiazole
|
Safety Information:
Preferred SDS: View |
European information : |
Most important hazard(s): | Xn - Harmful. |
R 02 - Risk of explosion by shock, friction, fire or other sources of ignition. R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 23 - Toxic by inhalation. R 26 - Very toxic by inhalation. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
gavage-mouse LD50 [sex: M,F] 900 mg/kg (Moran et al., 1980)
oral-rat LD50 [sex: M,F] 380 mg/kg (Birch, 1976a)
gavage-rat LD50 [sex: M,F] 492 mg/kg (Younger, 1964)
gavage-rat LD50 [sex: M,F] 479 mg/kg (Reddy & Mayhew, 1992)
oral-rat LD50 [sex: M,F] M:257 F:177 mg/kg (Loeser, 1982a)
intravenous-cat LDLo 100 mg/kg VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION Journal of Pharmacology and Experimental Therapeutics. Vol. 45, Pg. 189, 1932.
intraperitoneal-mouse LD50 100 mg/kg National Technical Information Service. Vol. AD277-689
intravenous-mouse LD50 95 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
oral-mouse LD50 900 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
unreported-mouse LD50 310 mg/kg Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 9(12), Pg. 11, 1975.
oral-rat LD50 380 mg/kg LIVER: OTHER CHANGES
LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI
BEHAVIORAL: FOOD INTAKE (ANIMAL) National Technical Information Service. Vol. OTS0534825
intraperitoneal-rat LDLo 1000 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 45, Pg. 189, 1932.
intravenous-rat LDLo 200 mg/kg BEHAVIORAL: IRRITABILITY
VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION Journal of Pharmacology and Experimental Therapeutics. Vol. 45, Pg. 189, 1932.
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Dermal Toxicity: |
skin-rabbit LDLo 200 mg/kg LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI
BEHAVIORAL: FOOD INTAKE (ANIMAL)
LIVER: OTHER CHANGES National Technical Information Service. Vol. OTS0534825
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Inhalation Toxicity: |
inhalation-rat LC > 1400 mg/m3/6H United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-1190-0987S
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Safety in Use Information:
Category: | flavor and fragrance agents |
RIFM Fragrance Material Safety Assessment: Search |
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
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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 Class: | III |
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
publication number: 5 |
Click here to view publication 5 |
| average usual ppm | average maximum ppm |
baked goods: | - | 0.50000 |
beverages(nonalcoholic): | - | 0.50000 |
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: | - | 0.50000 |
hard candy: | - | 0.50000 |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | 0.50000 |
milk products: | - | 0.50000 |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | - | - |
soups: | - | 0.50000 |
sugar substitutes: | - | - |
sweet sauces: | - | - |
Safety References:
European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
European Food Safety Authority (EFSA) reference(s): |
Flavouring Group Evaluation 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30 View page or View pdf |
Scientific Opinion on the safety and efficacy of thiazoles, thiophene, thiazoline and thienyl derivatives (chemical group 29): 3-acetyl-2,5-dimethylthiophene when used as a flavouring for all animal species View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 76, Revision 1 (FGE.76Rev1): Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 and miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21Rev3 View page or View pdf |
Safety and efficacy of thiazoles, thiophene and thiazoline belonging to chemical group 29 when used as flavourings for all animal species View page or View pdf |
EPI System: | View |
Chemical Carcinogenesis Research Information System: | Search |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 95-16-9 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 7222 |
National Institute of Allergy and Infectious Diseases: | Data |
WGK Germany: | 2 |
| 1,3-benzothiazole |
Chemidplus: | 0000095169 |
RTECS: | DL0875000 for cas# 95-16-9 |
References:
Other Information:
Potential Blenders and core components note
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For Odor |
alliaceous |
alliaceous |
| dimethyl trisulfide | FL/FR |
| methyl furfuryl disulfide | FL/FR |
chocolate |
2,5- | dimethyl pyrazine | FL/FR |
2,6- | dimethyl pyrazine | FL/FR |
fruity |
3- | methyl-2-butenal | FL/FR |
| tropical thiazole | FL/FR |
| sulfurol | FL/FR |
| sulfuryl acetate | FL/FR |
nutty |
2- | acetyl-3-methyl pyrazine | FL/FR |
2- | methyl thio-3,5 or 6-methyl pyrazine | FL/FR |
2,4,5- | trimethyl oxazole | FL/FR |
| trigonella foenum-graecum seed oil CO2 extract | FL/FR |
| methyl 3-(methyl thio) propionate | FL/FR |
vegetable |
1- | furfuryl pyrrole | FL/FR |
|
For Flavor |
|
No flavor group found for these |
| benzyl methyl sulfide | FL |
iso | butyl mercaptan | FL |
| diisopropyl sulfide | FL |
1-(3- | hydroxy-5-methyl-2-thienyl) ethanone | FL |
4- | methoxybenzoyl oxyacetic acid | FL |
| sodium methoxybenzoyl oxyacetate | FL |
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2,4- | dimethyl-3-oxazoline | FL |
1-(2- | thienyl) butanone | FL |
alliaceous |
| dimethyl trisulfide | FL/FR |
2- | methyl thioacetaldehyde | FL |
| tropical thiazole | FL/FR |
burnt |
2,4,5- | trimethyl oxazole | FL/FR |
chemical |
2,5- | dimethyl furan | FL |
cocoa |
| cacao flavor | FL |
coffee |
2,4- | dimethyl thiazole | FL |
| methyl furfuryl disulfide | FL/FR |
fruity |
3- | methyl-2-butenal | FL/FR |
green |
4- | methyl thiazole | FL |
meaty |
2,6- | dimethyl pyrazine | FL/FR |
2,6- | dimethyl thiophenol | FL |
3- | mercapto-2-butanone | FL |
2- | methyl 3-(methyl thio) furan | FL |
2- | methyl-3-tetrahydrofuran thiol | FL |
| phenyl mercaptan | FL |
2- | pyridinyl methane thiol | FL |
| sulfurol | FL/FR |
| sulfuryl acetate | FL/FR |
musty |
2,5- | dimethyl pyrazine | FL/FR |
nutty |
2- | acetyl-3-methyl pyrazine | FL/FR |
2- | methyl thio-3,5 or 6-methyl pyrazine | FL/FR |
| nutty thiazole | FL |
roasted |
| ethyl 3-(furfuryl thio) propionate | FL |
| gluconyl ethanolamine | FL |
| lactoyl ethanolamine phosphate | FL |
| trigonella foenum-graecum seed oil CO2 extract | FL/FR |
sulfurous |
| methyl 2-methyl-3-furyl disulfide | FL |
3- | methyl-2-butane thiol | FL |
2- | naphthyl mercaptan | FL |
| potato butanone | FL |
vegetable |
1- | furfuryl pyrrole | FL/FR |
| methyl 3-(methyl thio) propionate | FL/FR |
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Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| benzo thiazole | | benzo[d]thiazole | | benzosulfonazole | 1,3- | benzothiazol | 1,3- | benzothiazole | 1- | thia-3-azaindene | | vangard BT |
Articles:
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). |
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