benzothiazole
1-thia-3-azaindene
Identification
| Name | benzothiazole |
| IUPAC | 1,3-benzothiazole |
| CAS Number | 95-16-9 |
| EINECS | 202-396-2 |
| FDA UNII | G5BW2593EP |
| Molecular Formula | C7 H5 N S |
| Molecular Weight | 135.18885000 |
| MDL Number | MFCD00005775 |
| Nikkaji Number | J40.177C |
| Beilstein | 0109468 |
| CoE Number | 11594 |
| XlogP3 | 2.00 (est) |
Regulatory
| JECFA Food Flavoring | 1040 benzothiazole |
| DG SANTE Food Flavourings | 15.016 benzothiazole |
| FEMA Number | 3256 |
| FDA | No 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
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming 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 SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-mouse LD50 [sex: M,F] 900 mg/kg |
| Dermal Toxicity | skin-rabbit LDLo 200 mg/kg |
| Inhalation Toxicity | inhalation-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
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| 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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