2-methyl benzothiazole

benzothiazole, 2-methyl-

CAS: 120-75-2 C8 H7 N S MW: 149.21579000

Identification

Name2-methyl benzothiazole
IUPAC2-methyl-1,3-benzothiazole
CAS Number120-75-2
EINECS204-423-3
FDA UNII7LX1XE6H8W
Molecular FormulaC8 H7 N S
Molecular Weight149.21579000
MDL NumberMFCD00005794
Nikkaji NumberJ37.318D
Beilstein0112427
XlogP33.00 (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 SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 300 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

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

Safety in Use

Categoryflavoring agents
Recommendation for 2-methyl benzothiazole usage levels up tonot 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 Concern90 (μg/person/day)
Structure ClassIII
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

None Found

Natural Occurrence

mustard PMC tea leaf

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 chromatography–tandem 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].