2-methyl benzothiazole
benzothiazole, 2-methyl-
Identification
| Name | 2-methyl benzothiazole |
| IUPAC | 2-methyl-1,3-benzothiazole |
| CAS Number | 120-75-2 |
| EINECS | 204-423-3 |
| FDA UNII | 7LX1XE6H8W |
| Molecular Formula | C8 H7 N S |
| Molecular Weight | 149.21579000 |
| MDL Number | MFCD00005794 |
| Nikkaji Number | J37.318D |
| Beilstein | 0112427 |
| XlogP3 | 3.00 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.17300 to 1.17900 @ 25.00 °C. |
| Pounds per Gallon - (est). | 9.761 to 9.810 |
| Refractive Index | 1.61200 to 1.61800 @ 20.00 °C. |
| Melting Point | 12.00 to 14.00 °C. @ 760.00 mm Hg |
| Boiling Point | 238.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.067000 mmHg @ 25.00 °C. (est) |
| Flash Point | 216.00 °F. TCC ( 102.22 °C. ) |
| logP (o/w) | 2.224 (est) |
| Soluble in | alcohol |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 300 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 2-methyl benzothiazole usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.0085 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 160 (μg/person/day) |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| Dairy products, excluding products of category 02.0 (01.0) | 0.40000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.20000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.40000 |
| Processed fruit (04.1) | 0.30000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 0.40000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.20000 |
| Bakery wares (07.0) | 0.40000 |
| Meat and meat products, including poultry and game (08.0) | 0.10000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.10000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.20000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.40000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.20000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.40000 |
| Ready-to-eat savouries (15.0) | 1.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.20000 |
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Potential Uses
Natural Occurrence
Synonyms
benzothiazole, 2-methyl-
2-
methybenzothiazole
2-
methyl-1,3-benzothiazole
methyl-2 benzothiazole
2-
methyl-4,5-benzothiazole
2-
methylbenzo[d]thiazole
2-
methylbenzothiazole
PubMed:
Novel Ru(III) Complexes with Some Benzothiazole Derivatives: Synthesis, Physicochemical and Pharmacological Investigations.
PubMed:
Application of the SOS/umu test and high-content in vitro micronucleus test to determine genotoxicity and cytotoxicity of nine benzothiazoles.
PubMed:
Efficient Cu-catalyzed base-free C-S coupling under conventional and microwave heating. A simple access to S-heterocycles and sulfides.
PubMed:
Simultaneous determination of benzotriazole and benzothiazole derivatives in aqueous matrices by mixed-mode solid-phase extraction followed by liquid chromatographyâtandem mass spectrometry.
PubMed:
New conjugated benzothiazole-N-oxides: synthesis and biological activity.
PubMed:
Searching for new cures for tuberculosis: design, synthesis, and biological evaluation of 2-methylbenzothiazoles.
PubMed:
The synthesis and the solvent and substituent effect on the spectroscopic characteristic of 3-ethyl-2-(p-substitued styryl)benzothiazolium iodides.
PubMed:
catena-Poly[[2-methyl-1,3-benzothiazole-N)mercury(II)]-di-mu-chloro].
PubMed:
Bis[(E)-2-(2,4-dichloro-5-nitrostyryl)-1,3-benzothiazole] hydrate.
PubMed:
Antileishmanial action of organometallic complexes of Pt(II) and Rh(I).
PubMed:
The binding to oxidised cytochromes P-450 and inhibition of mixed-function oxidases by aryl-substituted benzimidazoles and related compounds.
PubMed:
[ON SOME DERIVATIVES OF 2-METHYLBENZOTHIAZOLE. II].
PubMed:
[ON SOME 2-METHYLBENZOTHIAZOLE DERIVATIVES. I].