2-(2-Butyl)-4,5-dimethyl-3-thiazoline

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  • Identifiers

    CAS number
    65894-82-8

    Molecular formula
    C9H17NS

    SMILES
    CCC(C)C1N=C(C(S1)C)C

  • Odor profile

    Fragrance
    Nutty 79.66%
    Meaty 74.64%
    Roasted 73.95%
    Vegetable 69.29%
    Chocolate 57.26%
    Cocoa 53.23%
    Sulfurous 47.89%
    Musty 40.42%
    Coffee 40.12%
    Green 39.86%

     

    Flavor
    Green 55.13%
    Herbal 33.14%
    Roasted 28.01%
    Tropical 27.77%
    Pepper 26.34%
    Earthy 25.84%
    Sulfurous 24.69%
    Meaty 23.58%
    Spice 22.52%
    Tomato leaf 22.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.01 (neutral)

    Molecular weight
    171.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 71.00 °C. @ 4.00 mm Hg

    Flash point

    • 95.04 ˚C est.

    Solubility expt.

    • Insoluble in water; Miscible in fats
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 65894-82-8
    • 2-(2-Butyl)-4,5-dimethyl-3-thiazoline
    • 2-(sec-Butyl)-4,5-dimethyl-2,5-dihydrothiazole
    • 2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
    • 2,5-Dihydro-4,5-dimethyl-2-(1-methylpropyl)thiazole
    • 2-(butan-2-yl)-4,5-dimethyl-2,5-dihydro-1,3-thiazole
    • DTXSID1047156
    • SCHEMBL3508483
    • CHEMBL3186526
    • DTXCID9027156
    • FEMA 3619
    • CHEBI:179181
    • FLBOQJFNAYJWIA-UHFFFAOYSA-N
    • Tox21_302459
    • AKOS015898655
    • NCGC00256832-01
    • CAS-65894-82-8
    • NS00056474
    • 2-sec-Butyl-4,5-dimethyl-3-thiazoline, AldrichCPR

  • Applications

    2-(2-Butyl)-4,5-dimethyl-3-thiazoline (CAS 65894-82-8) is used primarily as an odorant and fragrance ingredient in perfumery and cosmetic formulations, contributing distinctive notes to perfumes and personal care products. It may also function as an intermediate or precursor in the industrial synthesis of specialty aroma chemicals for fragrance applications, and it can be incorporated into household products such as air fresheners and cleaners to impart a controlled scent. In some cases, it is evaluated for use as a fragrance component in coatings and inks, subject to regulatory requirements and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 548.1
    methanol 408.67
    isopropanol 587.57
    water 1.27
    ethyl acetate 1001.67
    n-propanol 579.56
    acetone 1599.84
    n-butanol 590.22
    acetonitrile 1025.89
    DMF 1442.57
    toluene 1276.69
    isobutanol 580.08
    1,4-dioxane 1917.16
    methyl acetate 1142.75
    THF 2790.48
    2-butanone 1378.87
    n-pentanol 436.39
    sec-butanol 620.26
    n-hexane 97.85
    ethylene glycol 133.16
    NMP 1657.44
    cyclohexane 346.02
    DMSO 1383.3
    n-butyl acetate 1412.58
    n-octanol 588.77
    chloroform 4487.26
    n-propyl acetate 767.78
    acetic acid 659.94
    dichloromethane 3585.32
    cyclohexanone 2561.01
    propylene glycol 275.69
    isopropyl acetate 786.71
    DMAc 1257.32
    2-ethoxyethanol 577.29
    isopentanol 569.98
    n-heptane 164.9
    ethyl formate 904.6
    1,2-dichloroethane 1777.27
    n-hexanol 734.14
    2-methoxyethanol 827.44
    isobutyl acetate 576.09
    tetrachloromethane 946.42
    n-pentyl acetate 881.98
    transcutol 1762.07
    n-heptanol 480.77
    ethylbenzene 613.42
    MIBK 696.66
    2-propoxyethanol 954.28
    tert-butanol 757.49
    MTBE 844.37
    2-butoxyethanol 712.36
    propionic acid 663.56
    o-xylene 756.88
    formic acid 123.34
    diethyl ether 654.75
    m-xylene 756.71
    p-xylene 916.94
    chlorobenzene 1859.23
    dimethyl carbonate 412.26
    n-octane 91.46
    formamide 215.14
    cyclopentanone 2694.42
    2-pentanone 1060.43
    anisole 1044.7
    cyclopentyl methyl ether 1179.1
    gamma-butyrolactone 2528.51
    1-methoxy-2-propanol 716.52
    pyridine 2244.24
    3-pentanone 826.96
    furfural 2679.08
    n-dodecane 94.48
    diethylene glycol 566.1
    diisopropyl ether 315.73
    tert-amyl alcohol 663.94
    acetylacetone 1448.39
    n-hexadecane 112.12
    acetophenone 1092.99
    methyl propionate 767.17
    isopentyl acetate 1206.1
    trichloroethylene 3844.42
    n-nonanol 507.95
    cyclohexanol 930.91
    benzyl alcohol 846.53
    2-ethylhexanol 593.98
    isooctanol 413.36
    dipropyl ether 581.5
    1,2-dichlorobenzene 1611.68
    ethyl lactate 365.09
    propylene carbonate 1691.91
    n-methylformamide 628.42
    2-pentanol 474.51
    n-pentane 114.98
    1-propoxy-2-propanol 842.75
    1-methoxy-2-propyl acetate 1048.11
    2-(2-methoxypropoxy) propanol 711.12
    mesitylene 504.5
    ε-caprolactone 1959.37
    p-cymene 528.0
    epichlorohydrin 2358.43
    1,1,1-trichloroethane 2457.89
    2-aminoethanol 272.06
    morpholine-4-carbaldehyde 1775.24
    sulfolane 2632.01
    2,2,4-trimethylpentane 98.05
    2-methyltetrahydrofuran 1954.35
    n-hexyl acetate 1176.65
    isooctane 81.92
    2-(2-butoxyethoxy)ethanol 874.14
    sec-butyl acetate 547.65
    tert-butyl acetate 848.28
    decalin 175.1
    glycerin 334.48
    diglyme 1606.11
    acrylic acid 608.02
    isopropyl myristate 534.82
    n-butyric acid 958.49
    acetyl acetate 902.3
    di(2-ethylhexyl) phthalate 474.52
    ethyl propionate 598.92
    nitromethane 1346.51
    1,2-diethoxyethane 894.5
    benzonitrile 1817.84
    trioctyl phosphate 364.46
    1-bromopropane 1107.12
    gamma-valerolactone 2914.48
    n-decanol 382.84
    triethyl phosphate 419.46
    4-methyl-2-pentanol 331.46
    propionitrile 859.27
    vinylene carbonate 1759.63
    1,1,2-trichlorotrifluoroethane 1381.92
    DMS 807.74
    cumene 411.41
    2-octanol 430.7
    2-hexanone 859.22
    octyl acetate 650.37
    limonene 695.93
    1,2-dimethoxyethane 1195.94
    ethyl orthosilicate 382.55
    tributyl phosphate 436.5
    diacetone alcohol 787.95
    N,N-dimethylaniline 647.61
    acrylonitrile 1079.89
    aniline 1096.81
    1,3-propanediol 431.77
    bromobenzene 2274.79
    dibromomethane 2302.3
    1,1,2,2-tetrachloroethane 2798.77
    2-methyl-cyclohexyl acetate 750.3
    tetrabutyl urea 518.78
    diisobutyl methanol 354.89
    2-phenylethanol 941.46
    styrene 840.2
    dioctyl adipate 664.13
    dimethyl sulfate 652.46
    ethyl butyrate 845.3
    methyl lactate 415.84
    butyl lactate 606.42
    diethyl carbonate 616.58
    propanediol butyl ether 699.72
    triethyl orthoformate 604.03
    p-tert-butyltoluene 497.67
    methyl 4-tert-butylbenzoate 832.79
    morpholine 1652.61
    tert-butylamine 501.26
    n-dodecanol 302.27
    dimethoxymethane 861.52
    ethylene carbonate 1372.8
    cyrene 695.87
    2-ethoxyethyl acetate 1007.79
    2-ethylhexyl acetate 1000.07
    1,2,4-trichlorobenzene 1873.85
    4-methylpyridine 2447.51
    dibutyl ether 670.48
    2,6-dimethyl-4-heptanol 354.89
    DEF 966.55
    dimethyl isosorbide 1301.42
    tetrachloroethylene 1687.19
    eugenol 779.14
    triacetin 1012.38
    span 80 743.12
    1,4-butanediol 243.95
    1,1-dichloroethane 2140.78
    2-methyl-1-pentanol 446.9
    methyl formate 656.68
    2-methyl-1-butanol 571.51
    n-decane 149.02
    butyronitrile 1064.42
    3,7-dimethyl-1-octanol 556.81
    1-chlorooctane 530.24
    1-chlorotetradecane 235.03
    n-nonane 141.45
    undecane 115.68
    tert-butylcyclohexane 153.93
    cyclooctane 133.73
    cyclopentanol 1022.26
    tetrahydropyran 1741.7
    tert-amyl methyl ether 621.49
    2,5,8-trioxanonane 1087.69
    1-hexene 353.83
    2-isopropoxyethanol 494.46
    2,2,2-trifluoroethanol 311.48
    methyl butyrate 874.55

    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