2-Methylbenzothiazole

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  • Identifiers

    CAS number
    120-75-2

    Molecular formula
    C8H7NS

    SMILES
    CC1=NC2=CC=CC=C2S1

  • Odor profile

    Fragrance
    Sulfurous 73.23%
    Meaty 72.94%
    Roasted 64.02%
    Nutty 61.9%
    Burnt 58.62%
    Coffee 52.34%
    Vegetable 46.53%
    Beefy 39.59%
    Earthy 36.76%
    Savory 36.39%

     

    Flavor
    Nutty 67.2%
    Roasted 58.83%
    Coffee 56.73%
    Cocoa 49.46%
    Chocolate 40.12%
    Roast 39.7%
    Vegetable 37.09%
    Musty 35.91%
    Hazelnut 34.95%
    Corn 34.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.1 (weak acid)

    Molecular weight
    149.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 14 °C

    Boiling point

    • 238.00 °C. @ 760.00 mm Hg

    Flash point

    • 89.96 ˚C est.

  • Synonyms

    • 2-Methylbenzothiazole
    • 120-75-2
    • 2-Methyl-1,3-benzothiazole
    • Benzothiazole, 2-methyl-
    • 2-methyl-benzothiazole
    • 2-METHYBENZOTHIAZOLE
    • USAF EK-1853
    • 2-Methyl benzothiazole
    • UNII-7LX1XE6H8W
    • NSC 3825
    • EINECS 204-423-3
    • 7LX1XE6H8W
    • MFCD00005794
    • BRN 0112427
    • CCRIS 8096
    • 2-METHYLBENZO[D]THIAZOLE
    • DTXSID8049208
    • NSC-3825
    • DTXCID4029064
    • 4-27-00-01080 (Beilstein Handbook Reference)
    • Benzothiazole, methyl-
    • 2-Methyl-1,3-benzothiazole; 2-Methylbenzo[d]thiazole; NSC 3825
    • methylbenzothiazole
    • 2-methylbenzothiazoline
    • SCHEMBL55837
    • 2-Methylbenzothiazole, 99%
    • 2-Methyl-1,3-benzothiazole #
    • CHEMBL2393325
    • SCHEMBL10600002
    • WLN: T56 BN DSJ C1
    • NSC3825
    • Tox21_202975
    • AKOS000507502
    • CS-W009170
    • NCGC00260521-01
    • AC-19506
    • AS-12908
    • CAS-120-75-2
    • SY001190
    • DB-028158
    • M0516
    • NS00010908
    • EN300-16880
    • F14837
    • A804586
    • AA-504/31983006
    • Q27268542
    • F0001-0331
    • 204-423-3

  • Applications

    2-Methylbenzothiazole (CAS 120-75-2) is an organic intermediate used in the synthesis of benzothiazole-containing compounds, with typical applications across several industries: as a precursor for dyes and pigments; as an intermediate for pharmaceuticals and agrochemicals; as a building block for polymers and benzothiazole-containing materials; as a precursor for fragrance/odorants; and in coatings/inks as a starting material for dyeing systems and additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 96.94
    methanol 116.77
    isopropanol 77.3
    water 1.83
    ethyl acetate 167.36
    n-propanol 91.25
    acetone 274.1
    n-butanol 92.65
    acetonitrile 113.29
    DMF 406.82
    toluene 118.78
    isobutanol 73.81
    1,4-dioxane 453.14
    methyl acetate 186.11
    THF 539.27
    2-butanone 198.19
    n-pentanol 88.91
    sec-butanol 81.65
    n-hexane 35.09
    ethylene glycol 55.67
    NMP 374.89
    cyclohexane 33.58
    DMSO 371.49
    n-butyl acetate 143.0
    n-octanol 98.36
    chloroform 315.25
    n-propyl acetate 149.32
    acetic acid 92.11
    dichloromethane 317.41
    cyclohexanone 280.65
    propylene glycol 51.79
    isopropyl acetate 122.64
    DMAc 298.59
    2-ethoxyethanol 194.85
    isopentanol 82.48
    n-heptane 34.25
    ethyl formate 104.99
    1,2-dichloroethane 213.69
    n-hexanol 118.83
    2-methoxyethanol 254.99
    isobutyl acetate 117.19
    tetrachloromethane 75.7
    n-pentyl acetate 130.34
    transcutol 375.41
    n-heptanol 80.81
    ethylbenzene 82.14
    MIBK 134.21
    2-propoxyethanol 261.82
    tert-butanol 87.32
    MTBE 125.36
    2-butoxyethanol 151.41
    propionic acid 95.37
    o-xylene 81.87
    formic acid 31.6
    diethyl ether 162.44
    m-xylene 98.78
    p-xylene 105.18
    chlorobenzene 147.35
    dimethyl carbonate 150.62
    n-octane 24.46
    formamide 57.45
    cyclopentanone 398.44
    2-pentanone 182.83
    anisole 197.91
    cyclopentyl methyl ether 246.28
    gamma-butyrolactone 380.08
    1-methoxy-2-propanol 204.98
    pyridine 201.4
    3-pentanone 159.15
    furfural 322.11
    n-dodecane 22.52
    diethylene glycol 238.18
    diisopropyl ether 72.95
    tert-amyl alcohol 90.7
    acetylacetone 265.52
    n-hexadecane 25.07
    acetophenone 170.59
    methyl propionate 170.91
    isopentyl acetate 134.48
    trichloroethylene 335.51
    n-nonanol 88.74
    cyclohexanol 103.97
    benzyl alcohol 123.04
    2-ethylhexanol 90.8
    isooctanol 72.86
    dipropyl ether 127.53
    1,2-dichlorobenzene 152.08
    ethyl lactate 99.36
    propylene carbonate 201.7
    n-methylformamide 135.73
    2-pentanol 75.75
    n-pentane 25.41
    1-propoxy-2-propanol 170.59
    1-methoxy-2-propyl acetate 178.35
    2-(2-methoxypropoxy) propanol 154.84
    mesitylene 70.74
    ε-caprolactone 240.23
    p-cymene 62.62
    epichlorohydrin 378.58
    1,1,1-trichloroethane 189.87
    2-aminoethanol 68.77
    morpholine-4-carbaldehyde 444.81
    sulfolane 428.26
    2,2,4-trimethylpentane 18.98
    2-methyltetrahydrofuran 307.34
    n-hexyl acetate 178.95
    isooctane 16.09
    2-(2-butoxyethoxy)ethanol 201.17
    sec-butyl acetate 110.4
    tert-butyl acetate 146.86
    decalin 34.95
    glycerin 95.86
    diglyme 336.5
    acrylic acid 95.45
    isopropyl myristate 93.21
    n-butyric acid 114.7
    acetyl acetate 127.61
    di(2-ethylhexyl) phthalate 83.4
    ethyl propionate 145.59
    nitromethane 212.17
    1,2-diethoxyethane 193.06
    benzonitrile 139.78
    trioctyl phosphate 67.33
    1-bromopropane 130.97
    gamma-valerolactone 443.4
    n-decanol 74.23
    triethyl phosphate 81.73
    4-methyl-2-pentanol 59.22
    propionitrile 97.17
    vinylene carbonate 189.14
    1,1,2-trichlorotrifluoroethane 196.21
    DMS 193.28
    cumene 69.44
    2-octanol 75.48
    2-hexanone 164.39
    octyl acetate 110.65
    limonene 85.69
    1,2-dimethoxyethane 367.98
    ethyl orthosilicate 77.89
    tributyl phosphate 76.94
    diacetone alcohol 150.5
    N,N-dimethylaniline 138.29
    acrylonitrile 118.56
    aniline 114.93
    1,3-propanediol 99.66
    bromobenzene 161.45
    dibromomethane 212.23
    1,1,2,2-tetrachloroethane 250.88
    2-methyl-cyclohexyl acetate 116.82
    tetrabutyl urea 102.16
    diisobutyl methanol 63.42
    2-phenylethanol 136.17
    styrene 101.61
    dioctyl adipate 109.81
    dimethyl sulfate 228.74
    ethyl butyrate 118.42
    methyl lactate 115.99
    butyl lactate 98.12
    diethyl carbonate 90.79
    propanediol butyl ether 135.58
    triethyl orthoformate 97.34
    p-tert-butyltoluene 63.3
    methyl 4-tert-butylbenzoate 146.07
    morpholine 319.29
    tert-butylamine 62.97
    n-dodecanol 63.55
    dimethoxymethane 339.41
    ethylene carbonate 162.63
    cyrene 178.95
    2-ethoxyethyl acetate 177.49
    2-ethylhexyl acetate 117.32
    1,2,4-trichlorobenzene 176.83
    4-methylpyridine 207.92
    dibutyl ether 129.57
    2,6-dimethyl-4-heptanol 63.42
    DEF 205.05
    dimethyl isosorbide 276.1
    tetrachloroethylene 173.66
    eugenol 171.35
    triacetin 169.89
    span 80 137.66
    1,4-butanediol 71.26
    1,1-dichloroethane 181.28
    2-methyl-1-pentanol 87.43
    methyl formate 148.41
    2-methyl-1-butanol 82.17
    n-decane 31.96
    butyronitrile 102.34
    3,7-dimethyl-1-octanol 89.56
    1-chlorooctane 88.39
    1-chlorotetradecane 47.53
    n-nonane 32.79
    undecane 26.23
    tert-butylcyclohexane 33.67
    cyclooctane 21.37
    cyclopentanol 123.08
    tetrahydropyran 269.7
    tert-amyl methyl ether 114.05
    2,5,8-trioxanonane 257.21
    1-hexene 81.15
    2-isopropoxyethanol 153.12
    2,2,2-trifluoroethanol 63.4
    methyl butyrate 168.6

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction