Thiazole, 4,5-dihydro-2-(1-methylethyl)-

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  • Identifiers

    CAS number
    45533-49-1

    Molecular formula
    C6H11NS

    SMILES
    CC(C)C1=NCCS1

  • Odor profile

    Nutty 65.71%
    Green 65.51%
    Vegetable 61.56%
    Meaty 57.76%
    Roasted 57.4%
    Sulfurous 47.85%
    Cocoa 38.36%
    Onion 36.74%
    Earthy 35.73%
    Chocolate 34.4%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    129.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    195°C

    Flash point est.
    77.23 ˚C

  • Synonyms

    • Thiazole, 4,5-dihydro-2-(1-methylethyl)-
    • 45533-49-1
    • 2-propan-2-yl-4,5-dihydro-1,3-thiazole
    • 2-isopropyl-4,5-dihydrothiazole
    • BRN 0106994
    • 4,5-Dihydro-2-(1-methylethyl)thiazole
    • SCHEMBL10037148
    • DTXSID80196551
    • HTSOMKXWOBFXMF-UHFFFAOYSA-N
    • AKOS024436498
    • 2-ISOPROPYL-4,5-DIHYDRO-1,3-THIAZOLE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 498.29
    methanol 749.47
    isopropanol 279.73
    water 1.88
    ethyl acetate 720.52
    n-propanol 352.41
    acetone 1053.78
    n-butanol 373.57
    acetonitrile 739.98
    DMF 824.46
    toluene 656.86
    isobutanol 275.31
    1,4-dioxane 1146.75
    methyl acetate 695.22
    THF 1852.78
    2-butanone 863.15
    n-pentanol 268.7
    sec-butanol 265.89
    n-hexane 81.97
    ethylene glycol 115.91
    NMP 1415.45
    cyclohexane 214.23
    DMSO 1003.73
    n-butyl acetate 1011.37
    n-octanol 233.8
    chloroform 2988.44
    n-propyl acetate 511.2
    acetic acid 940.92
    dichloromethane 2532.8
    cyclohexanone 1568.33
    propylene glycol 122.11
    isopropyl acetate 482.3
    DMAc 731.47
    2-ethoxyethanol 416.73
    isopentanol 345.35
    n-heptane 121.45
    ethyl formate 564.79
    1,2-dichloroethane 1224.46
    n-hexanol 419.75
    2-methoxyethanol 702.13
    isobutyl acetate 370.97
    tetrachloromethane 693.0
    n-pentyl acetate 562.08
    transcutol 1674.83
    n-heptanol 235.28
    ethylbenzene 262.35
    MIBK 426.78
    2-propoxyethanol 732.4
    tert-butanol 331.61
    MTBE 481.25
    2-butoxyethanol 439.46
    propionic acid 456.47
    o-xylene 355.22
    formic acid 300.7
    diethyl ether 558.7
    m-xylene 408.13
    p-xylene 355.72
    chlorobenzene 1226.32
    dimethyl carbonate 271.32
    n-octane 45.78
    formamide 306.58
    cyclopentanone 1693.93
    2-pentanone 699.01
    anisole 543.31
    cyclopentyl methyl ether 836.19
    gamma-butyrolactone 1734.61
    1-methoxy-2-propanol 448.42
    pyridine 1426.71
    3-pentanone 556.78
    furfural 1826.32
    n-dodecane 37.52
    diethylene glycol 474.73
    diisopropyl ether 216.45
    tert-amyl alcohol 303.28
    acetylacetone 914.11
    n-hexadecane 44.17
    acetophenone 564.3
    methyl propionate 496.08
    isopentyl acetate 788.69
    trichloroethylene 2803.85
    n-nonanol 203.57
    cyclohexanol 494.19
    benzyl alcohol 424.01
    2-ethylhexanol 324.18
    isooctanol 194.63
    dipropyl ether 505.08
    1,2-dichlorobenzene 1077.94
    ethyl lactate 200.42
    propylene carbonate 975.79
    n-methylformamide 500.9
    2-pentanol 240.46
    n-pentane 90.15
    1-propoxy-2-propanol 531.75
    1-methoxy-2-propyl acetate 720.69
    2-(2-methoxypropoxy) propanol 411.97
    mesitylene 274.64
    ε-caprolactone 1191.68
    p-cymene 278.18
    epichlorohydrin 1673.65
    1,1,1-trichloroethane 1539.18
    2-aminoethanol 197.84
    morpholine-4-carbaldehyde 1221.53
    sulfolane 1773.37
    2,2,4-trimethylpentane 56.89
    2-methyltetrahydrofuran 1318.42
    n-hexyl acetate 663.15
    isooctane 48.07
    2-(2-butoxyethoxy)ethanol 547.98
    sec-butyl acetate 359.02
    tert-butyl acetate 554.7
    decalin 105.09
    glycerin 209.77
    diglyme 1077.09
    acrylic acid 487.28
    isopropyl myristate 274.84
    n-butyric acid 720.31
    acetyl acetate 624.93
    di(2-ethylhexyl) phthalate 274.75
    ethyl propionate 374.19
    nitromethane 1239.08
    1,2-diethoxyethane 826.44
    benzonitrile 944.14
    trioctyl phosphate 182.85
    1-bromopropane 740.64
    gamma-valerolactone 1899.87
    n-decanol 150.85
    triethyl phosphate 267.97
    4-methyl-2-pentanol 166.06
    propionitrile 537.07
    vinylene carbonate 1010.13
    1,1,2-trichlorotrifluoroethane 1003.94
    DMS 498.23
    cumene 191.31
    2-octanol 168.39
    2-hexanone 529.82
    octyl acetate 329.09
    limonene 429.96
    1,2-dimethoxyethane 784.68
    ethyl orthosilicate 262.27
    tributyl phosphate 253.67
    diacetone alcohol 451.28
    N,N-dimethylaniline 344.25
    acrylonitrile 694.0
    aniline 629.82
    1,3-propanediol 324.12
    bromobenzene 1415.41
    dibromomethane 1682.56
    1,1,2,2-tetrachloroethane 1807.01
    2-methyl-cyclohexyl acetate 481.45
    tetrabutyl urea 298.7
    diisobutyl methanol 210.18
    2-phenylethanol 513.69
    styrene 395.17
    dioctyl adipate 370.28
    dimethyl sulfate 449.02
    ethyl butyrate 578.16
    methyl lactate 234.03
    butyl lactate 334.36
    diethyl carbonate 374.28
    propanediol butyl ether 360.65
    triethyl orthoformate 410.78
    p-tert-butyltoluene 265.27
    methyl 4-tert-butylbenzoate 470.35
    morpholine 1053.84
    tert-butylamine 239.38
    n-dodecanol 121.89
    dimethoxymethane 595.72
    ethylene carbonate 789.28
    cyrene 428.01
    2-ethoxyethyl acetate 738.44
    2-ethylhexyl acetate 681.39
    1,2,4-trichlorobenzene 1180.2
    4-methylpyridine 1399.23
    dibutyl ether 420.18
    2,6-dimethyl-4-heptanol 210.18
    DEF 689.08
    dimethyl isosorbide 845.05
    tetrachloroethylene 1258.26
    eugenol 426.69
    triacetin 567.28
    span 80 422.33
    1,4-butanediol 138.4
    1,1-dichloroethane 1292.87
    2-methyl-1-pentanol 267.36
    methyl formate 485.34
    2-methyl-1-butanol 319.75
    n-decane 61.03
    butyronitrile 645.24
    3,7-dimethyl-1-octanol 268.52
    1-chlorooctane 250.13
    1-chlorotetradecane 107.68
    n-nonane 62.44
    undecane 45.6
    tert-butylcyclohexane 94.77
    cyclooctane 84.75
    cyclopentanol 486.08
    tetrahydropyran 1085.77
    tert-amyl methyl ether 376.59
    2,5,8-trioxanonane 705.26
    1-hexene 254.79
    2-isopropoxyethanol 312.35
    2,2,2-trifluoroethanol 327.93
    methyl butyrate 525.87

    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