2-Methylthiazoline

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  • Identifiers

    CAS number
    2346-00-1

    Molecular formula
    C4H7NS

    SMILES
    CC1=NCCS1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Meaty 75.05%
    Nutty 73.3%
    Vegetable 70.8%
    Green 68.65%
    Roasted 64.48%
    Sulfurous 63.4%
    Musty 45.75%
    Cocoa 44.84%
    Earthy 43.6%
    Alliaceous 40.73%

     

    Flavor
    Roasted 54.55%
    Nutty 49.65%
    Vegetable 41.38%
    Meaty 40.66%
    Green 36.89%
    Sulfur 35.26%
    Onion 33.3%
    Sulfurous 33.28%
    Alliaceous 31.34%
    Garlic 31.26%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    5.94 (weak acid)

    Molecular weight
    101.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -101 °C

    Boiling point

    • 144.00 °C. @ 760.00 mm Hg

    Flash point

    • 46.7 ˚C est.

    Solubility expt.

    • slightly

  • Synonyms

    • 2-Methyl-2-thiazoline
    • 2346-00-1
    • 2-Methylthiazoline
    • Thiazole, 4,5-dihydro-2-methyl-
    • 2-methyl-4,5-dihydrothiazole
    • 2-Methyl-4,5-dihydro-1,3-thiazole
    • Methyl-2-thiazoline
    • 2-THIAZOLINE, 2-METHYL-
    • 4,5-Dihydro-2-methylthiazole
    • Methyl-2 delta-2 thiazoline
    • EINECS 219-071-6
    • 8Z6UA8V7WN
    • Methyl-2 delta-2 thiazoline [French]
    • 2-Methyl-.delta.2-thiazoline
    • BRN 0104274
    • DTXSID1062336
    • 4-27-00-00921 (Beilstein Handbook Reference)
    • 2-Methyl-2-thiazoline, 98%
    • UNII-8Z6UA8V7WN
    • 2-Methyl-4,5-dihydro-thiazole
    • MFCD00005314
    • C4H7NS
    • 2-Methyl-delta2-thiazoline
    • SCHEMBL208968
    • 2-Methyl-2-thiazoline, 8CI
    • 4,5-Dihydro-2-methyl-Thiazole
    • DTXCID7036874
    • CHEBI:184712
    • AKOS000120137
    • AKOS025243234
    • CS-W013704
    • 2-Methyl-laquo deltaRaquo 2-Thiazoline
    • 2-Methyl-4,5-dihydro-1,3-thiazole #
    • LS-12993
    • 2-Methyl-2-thiazoline, analytical standard
    • DB-046155
    • M0285
    • NS00021894
    • EN300-20730
    • D91305
    • Q27271229
    • F0001-0813
    • Z104480256
    • InChI=1/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H
    • 219-071-6

  • Applications

    2-Methylthiazoline (CAS 2346-00-1) is primarily used as an intermediate in organic synthesis, enabling the preparation of more complex heterocyclic compounds that appear in pharmaceutical and agrochemical research. In fragrance and flavor applications, it may be evaluated as an odor-active precursor or fragrance building block, contributing to sulfur-containing notes in perfumery formulations. In cosmetics and personal care, it can be investigated as a raw material for fragrance compositions or as a synthetic intermediate under formulation controls. In industrial manufacturing, it can function as a reactive intermediate for producing specialty chemicals, polymers and coatings precursors. In medicinal chemistry, it may be used in the synthesis of heterocyclic scaffolds for lead optimization, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 649.35
    methanol 1034.26
    isopropanol 403.79
    water 43.74
    ethyl acetate 606.04
    n-propanol 481.72
    acetone 1036.4
    n-butanol 354.02
    acetonitrile 1081.49
    DMF 1424.65
    toluene 472.36
    isobutanol 290.25
    1,4-dioxane 1291.81
    methyl acetate 818.42
    THF 882.84
    2-butanone 690.53
    n-pentanol 229.87
    sec-butanol 353.25
    n-hexane 23.93
    ethylene glycol 369.84
    NMP 1095.13
    cyclohexane 75.34
    DMSO 1044.33
    n-butyl acetate 197.49
    n-octanol 139.65
    chloroform 2799.01
    n-propyl acetate 214.95
    acetic acid 933.88
    dichloromethane 2086.75
    cyclohexanone 699.72
    propylene glycol 420.31
    isopropyl acetate 260.93
    DMAc 1190.29
    2-ethoxyethanol 518.04
    isopentanol 212.46
    n-heptane 34.84
    ethyl formate 454.16
    1,2-dichloroethane 804.23
    n-hexanol 197.07
    2-methoxyethanol 922.76
    isobutyl acetate 119.63
    tetrachloromethane 475.44
    n-pentyl acetate 182.6
    transcutol 1047.81
    n-heptanol 144.77
    ethylbenzene 137.26
    MIBK 169.41
    2-propoxyethanol 428.28
    tert-butanol 315.37
    MTBE 250.98
    2-butoxyethanol 292.41
    propionic acid 631.54
    o-xylene 261.65
    formic acid 609.3
    diethyl ether 414.88
    m-xylene 219.54
    p-xylene 195.93
    chlorobenzene 643.71
    dimethyl carbonate 290.72
    n-octane 15.0
    formamide 854.73
    cyclopentanone 902.08
    2-pentanone 417.63
    anisole 403.13
    cyclopentyl methyl ether 392.86
    gamma-butyrolactone 985.59
    1-methoxy-2-propanol 591.21
    pyridine 1322.22
    3-pentanone 396.99
    furfural 1287.38
    n-dodecane 14.49
    diethylene glycol 424.64
    diisopropyl ether 82.8
    tert-amyl alcohol 271.39
    acetylacetone 570.56
    n-hexadecane 16.68
    acetophenone 355.67
    methyl propionate 503.37
    isopentyl acetate 152.27
    trichloroethylene 1884.69
    n-nonanol 129.4
    cyclohexanol 317.86
    benzyl alcohol 348.04
    2-ethylhexanol 108.69
    isooctanol 101.72
    dipropyl ether 155.06
    1,2-dichlorobenzene 509.55
    ethyl lactate 142.23
    propylene carbonate 462.45
    n-methylformamide 910.36
    2-pentanol 211.76
    n-pentane 42.62
    1-propoxy-2-propanol 285.98
    1-methoxy-2-propyl acetate 278.99
    2-(2-methoxypropoxy) propanol 224.34
    mesitylene 109.28
    ε-caprolactone 575.25
    p-cymene 90.33
    epichlorohydrin 1010.36
    1,1,1-trichloroethane 1059.86
    2-aminoethanol 523.8
    morpholine-4-carbaldehyde 1226.6
    sulfolane 772.12
    2,2,4-trimethylpentane 20.73
    2-methyltetrahydrofuran 642.3
    n-hexyl acetate 232.31
    isooctane 12.01
    2-(2-butoxyethoxy)ethanol 338.71
    sec-butyl acetate 135.47
    tert-butyl acetate 203.88
    decalin 29.7
    glycerin 533.53
    diglyme 656.69
    acrylic acid 722.92
    isopropyl myristate 88.97
    n-butyric acid 538.98
    acetyl acetate 415.7
    di(2-ethylhexyl) phthalate 99.02
    ethyl propionate 208.48
    nitromethane 1790.87
    1,2-diethoxyethane 327.25
    benzonitrile 527.57
    trioctyl phosphate 63.17
    1-bromopropane 406.51
    gamma-valerolactone 1241.99
    n-decanol 93.07
    triethyl phosphate 94.01
    4-methyl-2-pentanol 96.07
    propionitrile 586.38
    vinylene carbonate 559.7
    1,1,2-trichlorotrifluoroethane 976.89
    DMS 251.86
    cumene 81.16
    2-octanol 94.5
    2-hexanone 221.24
    octyl acetate 123.17
    limonene 125.52
    1,2-dimethoxyethane 610.99
    ethyl orthosilicate 90.14
    tributyl phosphate 72.11
    diacetone alcohol 272.76
    N,N-dimethylaniline 222.75
    acrylonitrile 866.59
    aniline 633.42
    1,3-propanediol 473.85
    bromobenzene 675.09
    dibromomethane 1178.86
    1,1,2,2-tetrachloroethane 1336.55
    2-methyl-cyclohexyl acetate 129.04
    tetrabutyl urea 100.52
    diisobutyl methanol 64.17
    2-phenylethanol 268.71
    styrene 222.93
    dioctyl adipate 126.52
    dimethyl sulfate 446.2
    ethyl butyrate 166.36
    methyl lactate 297.37
    butyl lactate 139.67
    diethyl carbonate 123.93
    propanediol butyl ether 258.98
    triethyl orthoformate 131.9
    p-tert-butyltoluene 89.33
    methyl 4-tert-butylbenzoate 230.71
    morpholine 1131.23
    tert-butylamine 191.84
    n-dodecanol 69.57
    dimethoxymethane 591.86
    ethylene carbonate 419.02
    cyrene 264.61
    2-ethoxyethyl acetate 328.61
    2-ethylhexyl acetate 130.86
    1,2,4-trichlorobenzene 670.36
    4-methylpyridine 976.94
    dibutyl ether 131.17
    2,6-dimethyl-4-heptanol 64.17
    DEF 554.21
    dimethyl isosorbide 338.85
    tetrachloroethylene 965.32
    eugenol 234.53
    triacetin 299.19
    span 80 220.5
    1,4-butanediol 221.09
    1,1-dichloroethane 1073.6
    2-methyl-1-pentanol 156.47
    methyl formate 614.94
    2-methyl-1-butanol 235.72
    n-decane 24.07
    butyronitrile 439.54
    3,7-dimethyl-1-octanol 115.01
    1-chlorooctane 95.62
    1-chlorotetradecane 41.11
    n-nonane 22.15
    undecane 18.07
    tert-butylcyclohexane 23.64
    cyclooctane 26.23
    cyclopentanol 371.29
    tetrahydropyran 666.67
    tert-amyl methyl ether 204.97
    2,5,8-trioxanonane 447.53
    1-hexene 86.37
    2-isopropoxyethanol 296.99
    2,2,2-trifluoroethanol 521.76
    methyl butyrate 258.72

    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