2-Isobutyl-4,5-dimethyl-3-thiazoline

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  • Identifiers

    CAS number
    65894-83-9

    Molecular formula
    C9H17NS

    SMILES
    CC1C(=NC(S1)CC(C)C)C

  • Odor profile

    Fragrance
    Nutty 79.7%
    Vegetable 73.02%
    Roasted 72.63%
    Meaty 71.47%
    Chocolate 59.92%
    Cocoa 58.99%
    Green 58.24%
    Sulfurous 47.57%
    Sweet 44.18%
    Musty 42.63%

     

    Flavor
    Green 53.64%
    Roasted 33.51%
    Earthy 28.56%
    Tropical 27.22%
    Herbal 25.86%
    Meaty 25.48%
    Vegetable 24.99%
    Sulfurous 24.97%
    Pepper 24.26%
    Tomato leaf 22.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.17 (neutral)

    Molecular weight
    171.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 94.85 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 65894-83-9
    • 4,5-Dimethyl-2-isobutyl-3-thiazoline
    • 2-Isobutyl-4,5-dimethyl-3-thiazoline
    • 2-Isobutyl-4,5-dimethyl-2,5-dihydrothiazole
    • 4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
    • 2,5-Dihydro-4,5-dimethyl-2-(2-methylpropyl)thiazole
    • Thiazole, 2,5-dihydro-4,5-dimethyl-2-(2-methylpropyl)-
    • FEMA No. 3621
    • BRN 0774665
    • 2-Isobutyl-4,5-dimethyl thiazoline
    • EINECS 265-969-6
    • 2,5-Dihydro-2-isobutyl-4,5-dimethylthiazole
    • MFCD01680822
    • IJC76KB65W
    • 3-Thiazoline, 4,5-dimethyl-2-isobutyl-
    • DTXSID30867188
    • 2-isobutyl-4,5-dimethyl-2,3-dihydrothiazole
    • yeast thiazoline
    • UNII-IJC76KB65W
    • SCHEMBL1532493
    • FEMA 3621
    • DTXCID30222036
    • CHEBI:179182
    • AKOS015898807
    • CS-W017651
    • AS-71528
    • SY034304
    • I0737
    • NS00055126
    • D70167
    • (+/-)-2-ISOBUTYL-4,5-DIMETHYL-3-THIAZOLINE
    • 4,5-DIMETHYL-2-ISOBUTYL-3-THIAZOLINE [FHFI]
    • 2-ISOBUTYL-4,5-DIMETHYL-3-THIAZOLINE, (+/-)-
    • 2-Isobutyl-4,5-dimethyl-3-thiazoline (mixture of isomers)
    • 2-(2'-METHYL-N-PROPYL)-4,5-DIMETHYL-.DELTA.3-THIAZOLINE
    • 2-(2'-METHYL-N-PROPYL)-4,5-DIMETHYL-DELTA3-THIAZOLINE
    • 265-969-6

  • Applications

    2-Isobutyl-4,5-dimethyl-3-thiazoline (CAS 65894-83-9) is viewed as a potential fragrance ingredient with spicy, peppery notes suitable for perfumery and cosmetics and is also being evaluated for flavor applications in food formulations on a test or limited-use basis. In household products and cleaning formulations, it may contribute as an odorant or scent additive. In industrial manufacturing, it can serve as an intermediate in the synthesis of thiazoline-containing compounds used in coatings, inks, or rubber-related materials, depending on formulation and regulatory constraints. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 520.69
    methanol 411.4
    isopropanol 536.78
    water 1.52
    ethyl acetate 781.96
    n-propanol 522.63
    acetone 1078.64
    n-butanol 543.36
    acetonitrile 891.7
    DMF 782.79
    toluene 1058.93
    isobutanol 499.67
    1,4-dioxane 1672.92
    methyl acetate 741.01
    THF 2642.35
    2-butanone 848.34
    n-pentanol 379.72
    sec-butanol 535.12
    n-hexane 159.02
    ethylene glycol 110.98
    NMP 1160.08
    cyclohexane 540.82
    DMSO 880.86
    n-butyl acetate 1060.01
    n-octanol 538.68
    chloroform 3572.01
    n-propyl acetate 522.41
    acetic acid 707.37
    dichloromethane 2441.39
    cyclohexanone 1839.36
    propylene glycol 251.52
    isopropyl acetate 568.8
    DMAc 704.31
    2-ethoxyethanol 383.54
    isopentanol 507.18
    n-heptane 274.17
    ethyl formate 608.78
    1,2-dichloroethane 1045.24
    n-hexanol 815.46
    2-methoxyethanol 647.59
    isobutyl acetate 418.51
    tetrachloromethane 673.11
    n-pentyl acetate 600.66
    transcutol 1504.03
    n-heptanol 435.95
    ethylbenzene 444.58
    MIBK 500.15
    2-propoxyethanol 862.85
    tert-butanol 681.27
    MTBE 698.98
    2-butoxyethanol 539.33
    propionic acid 572.85
    o-xylene 526.45
    formic acid 130.21
    diethyl ether 623.06
    m-xylene 596.47
    p-xylene 648.02
    chlorobenzene 1247.66
    dimethyl carbonate 283.59
    n-octane 106.6
    formamide 179.17
    cyclopentanone 1847.28
    2-pentanone 764.87
    anisole 651.34
    cyclopentyl methyl ether 1120.48
    gamma-butyrolactone 1811.43
    1-methoxy-2-propanol 602.08
    pyridine 1592.66
    3-pentanone 563.89
    furfural 1648.6
    n-dodecane 98.63
    diethylene glycol 502.05
    diisopropyl ether 279.21
    tert-amyl alcohol 562.99
    acetylacetone 930.97
    n-hexadecane 115.61
    acetophenone 659.99
    methyl propionate 568.9
    isopentyl acetate 891.85
    trichloroethylene 2323.76
    n-nonanol 474.49
    cyclohexanol 934.67
    benzyl alcohol 543.62
    2-ethylhexanol 586.42
    isooctanol 342.73
    dipropyl ether 633.99
    1,2-dichlorobenzene 1013.44
    ethyl lactate 281.72
    propylene carbonate 1279.59
    n-methylformamide 386.73
    2-pentanol 436.93
    n-pentane 163.02
    1-propoxy-2-propanol 766.69
    1-methoxy-2-propyl acetate 813.06
    2-(2-methoxypropoxy) propanol 560.27
    mesitylene 393.73
    ε-caprolactone 1382.41
    p-cymene 413.24
    epichlorohydrin 1548.78
    1,1,1-trichloroethane 1558.44
    2-aminoethanol 228.76
    morpholine-4-carbaldehyde 1164.54
    sulfolane 1776.78
    2,2,4-trimethylpentane 103.02
    2-methyltetrahydrofuran 1763.79
    n-hexyl acetate 893.13
    isooctane 83.7
    2-(2-butoxyethoxy)ethanol 709.25
    sec-butyl acetate 393.27
    tert-butyl acetate 623.3
    decalin 188.6
    glycerin 300.79
    diglyme 1208.11
    acrylic acid 495.33
    isopropyl myristate 421.9
    n-butyric acid 922.08
    acetyl acetate 690.66
    di(2-ethylhexyl) phthalate 393.16
    ethyl propionate 418.62
    nitromethane 969.48
    1,2-diethoxyethane 695.96
    benzonitrile 1140.96
    trioctyl phosphate 304.13
    1-bromopropane 818.76
    gamma-valerolactone 1890.63
    n-decanol 356.29
    triethyl phosphate 319.48
    4-methyl-2-pentanol 292.43
    propionitrile 690.81
    vinylene carbonate 1180.5
    1,1,2-trichlorotrifluoroethane 1052.96
    DMS 574.01
    cumene 292.81
    2-octanol 355.49
    2-hexanone 581.12
    octyl acetate 524.85
    limonene 619.61
    1,2-dimethoxyethane 819.84
    ethyl orthosilicate 311.21
    tributyl phosphate 356.05
    diacetone alcohol 600.38
    N,N-dimethylaniline 417.93
    acrylonitrile 741.07
    aniline 841.02
    1,3-propanediol 377.44
    bromobenzene 1470.31
    dibromomethane 1718.8
    1,1,2,2-tetrachloroethane 1905.99
    2-methyl-cyclohexyl acetate 639.77
    tetrabutyl urea 406.54
    diisobutyl methanol 320.77
    2-phenylethanol 686.12
    styrene 576.32
    dioctyl adipate 523.96
    dimethyl sulfate 397.42
    ethyl butyrate 630.58
    methyl lactate 337.97
    butyl lactate 450.94
    diethyl carbonate 457.04
    propanediol butyl ether 592.97
    triethyl orthoformate 506.44
    p-tert-butyltoluene 398.1
    methyl 4-tert-butylbenzoate 588.4
    morpholine 1593.46
    tert-butylamine 470.42
    n-dodecanol 283.09
    dimethoxymethane 578.71
    ethylene carbonate 974.82
    cyrene 541.07
    2-ethoxyethyl acetate 715.65
    2-ethylhexyl acetate 776.98
    1,2,4-trichlorobenzene 1198.61
    4-methylpyridine 1679.3
    dibutyl ether 588.03
    2,6-dimethyl-4-heptanol 320.77
    DEF 636.14
    dimethyl isosorbide 991.85
    tetrachloroethylene 1213.59
    eugenol 527.03
    triacetin 769.11
    span 80 691.88
    1,4-butanediol 180.76
    1,1-dichloroethane 1307.58
    2-methyl-1-pentanol 373.41
    methyl formate 395.36
    2-methyl-1-butanol 495.76
    n-decane 158.31
    butyronitrile 859.41
    3,7-dimethyl-1-octanol 489.26
    1-chlorooctane 460.94
    1-chlorotetradecane 209.11
    n-nonane 159.7
    undecane 120.59
    tert-butylcyclohexane 154.97
    cyclooctane 200.65
    cyclopentanol 965.59
    tetrahydropyran 1781.87
    tert-amyl methyl ether 512.7
    2,5,8-trioxanonane 837.2
    1-hexene 398.78
    2-isopropoxyethanol 330.68
    2,2,2-trifluoroethanol 299.06
    methyl butyrate 568.71

    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