2-Isopropyl-4-methyl-3-thiazoline

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67936-13-4

    Molecular formula
    C7H13NS

    SMILES
    CC1=NC(SC1)C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 68.24%
    Meaty 65.44%
    Roasted 63.84%
    Vegetable 60.53%
    Sweet 50.15%
    Sulfurous 49.06%
    Chocolate 47.43%
    Cocoa 44.28%
    Cooked 37.71%
    Onion 35.81%

     

    Flavor
    Green 58.18%
    Roasted 37.63%
    Vegetable 32.0%
    Earthy 31.39%
    Meaty 29.31%
    Sulfurous 29.24%
    Tropical 26.5%
    Nutty 23.93%
    Pepper 23.01%
    Tomato leaf 22.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.57 (weak acid)

    Molecular weight
    143.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 78.66 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • 2,5-Dihydro-2-isopropyl-4-methylthiazole
    • 2-Isopropyl-4-methyl-3-thiazoline
    • 67936-13-4
    • EINECS 267-816-9
    • 35Q7TX396D
    • UNII-35Q7TX396D
    • FEMA NO. 4767
    • DTXSID20987324
    • 2,5-Dihydro-4-methyl-2-(1-methylethyl)thiazole
    • 2-ISOPROPYL-4-METHYL-2,5-DIHYDROTHIAZOLE
    • SCHEMBL1395907
    • RSSCOFSBIBEMBM-UHFFFAOYSA-N
    • DTXCID201414490
    • NS00055348
    • Thiazole, 2,5-dihydro-4-methyl-2-(1-methylethyl)

  • Applications

    2-Isopropyl-4-methyl-3-thiazoline, CAS 67936-13-4, is primarily used as a fragrance/odorant ingredient in the fragrance and flavor industries, where it may contribute notes and often serves as an intermediate for the synthesis of other aroma compounds; in cosmetics and personal care, it may function as a fragrance component; in household cleaning products, it may be used to impart scent; in industrial manufacturing, it may be employed as an aroma-chemical intermediate for fragrance formulation or for coatings/inks fragrance applications; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 339.19
    methanol 422.14
    isopropanol 308.82
    water 1.92
    ethyl acetate 605.63
    n-propanol 339.32
    acetone 957.39
    n-butanol 364.85
    acetonitrile 541.19
    DMF 870.66
    toluene 616.11
    isobutanol 316.25
    1,4-dioxane 984.81
    methyl acetate 614.8
    THF 1630.84
    2-butanone 780.29
    n-pentanol 258.66
    sec-butanol 315.07
    n-hexane 97.16
    ethylene glycol 134.22
    NMP 1205.01
    cyclohexane 184.59
    DMSO 1026.93
    n-butyl acetate 657.64
    n-octanol 318.51
    chloroform 2121.76
    n-propyl acetate 379.98
    acetic acid 454.93
    dichloromethane 1646.42
    cyclohexanone 1367.09
    propylene glycol 201.82
    isopropyl acetate 469.41
    DMAc 834.19
    2-ethoxyethanol 381.14
    isopentanol 344.52
    n-heptane 118.57
    ethyl formate 408.74
    1,2-dichloroethane 909.71
    n-hexanol 455.75
    2-methoxyethanol 629.09
    isobutyl acetate 319.85
    tetrachloromethane 474.94
    n-pentyl acetate 462.56
    transcutol 1256.28
    n-heptanol 268.51
    ethylbenzene 265.88
    MIBK 475.49
    2-propoxyethanol 700.63
    tert-butanol 400.87
    MTBE 510.24
    2-butoxyethanol 429.93
    propionic acid 410.8
    o-xylene 382.99
    formic acid 132.08
    diethyl ether 446.05
    m-xylene 433.32
    p-xylene 373.02
    chlorobenzene 883.2
    dimethyl carbonate 285.42
    n-octane 56.07
    formamide 145.15
    cyclopentanone 1579.22
    2-pentanone 677.52
    anisole 510.5
    cyclopentyl methyl ether 805.03
    gamma-butyrolactone 1506.12
    1-methoxy-2-propanol 566.37
    pyridine 967.97
    3-pentanone 558.13
    furfural 1454.08
    n-dodecane 50.62
    diethylene glycol 505.76
    diisopropyl ether 227.15
    tert-amyl alcohol 361.85
    acetylacetone 941.64
    n-hexadecane 60.36
    acetophenone 532.34
    methyl propionate 501.84
    isopentyl acetate 592.39
    trichloroethylene 1915.22
    n-nonanol 262.68
    cyclohexanol 504.69
    benzyl alcohol 385.05
    2-ethylhexanol 318.91
    isooctanol 221.54
    dipropyl ether 405.31
    1,2-dichlorobenzene 812.85
    ethyl lactate 230.6
    propylene carbonate 836.67
    n-methylformamide 383.46
    2-pentanol 277.26
    n-pentane 93.11
    1-propoxy-2-propanol 534.26
    1-methoxy-2-propyl acetate 666.21
    2-(2-methoxypropoxy) propanol 415.72
    mesitylene 303.12
    ε-caprolactone 1028.79
    p-cymene 253.02
    epichlorohydrin 1350.04
    1,1,1-trichloroethane 1198.93
    2-aminoethanol 214.1
    morpholine-4-carbaldehyde 1134.51
    sulfolane 1811.97
    2,2,4-trimethylpentane 69.19
    2-methyltetrahydrofuran 1071.21
    n-hexyl acetate 678.8
    isooctane 59.17
    2-(2-butoxyethoxy)ethanol 531.45
    sec-butyl acetate 311.8
    tert-butyl acetate 551.22
    decalin 116.32
    glycerin 313.9
    diglyme 956.39
    acrylic acid 403.5
    isopropyl myristate 286.32
    n-butyric acid 534.35
    acetyl acetate 537.25
    di(2-ethylhexyl) phthalate 254.98
    ethyl propionate 339.68
    nitromethane 804.56
    1,2-diethoxyethane 518.29
    benzonitrile 744.7
    trioctyl phosphate 196.18
    1-bromopropane 601.63
    gamma-valerolactone 1611.04
    n-decanol 194.2
    triethyl phosphate 232.02
    4-methyl-2-pentanol 204.94
    propionitrile 457.23
    vinylene carbonate 788.43
    1,1,2-trichlorotrifluoroethane 945.12
    DMS 528.36
    cumene 206.94
    2-octanol 221.24
    2-hexanone 458.91
    octyl acetate 349.37
    limonene 372.89
    1,2-dimethoxyethane 663.75
    ethyl orthosilicate 216.77
    tributyl phosphate 234.23
    diacetone alcohol 531.59
    N,N-dimethylaniline 359.82
    acrylonitrile 581.67
    aniline 549.46
    1,3-propanediol 310.32
    bromobenzene 1067.43
    dibromomethane 1148.59
    1,1,2,2-tetrachloroethane 1490.91
    2-methyl-cyclohexyl acetate 397.45
    tetrabutyl urea 298.86
    diisobutyl methanol 205.74
    2-phenylethanol 482.09
    styrene 353.16
    dioctyl adipate 346.62
    dimethyl sulfate 506.15
    ethyl butyrate 413.77
    methyl lactate 313.48
    butyl lactate 345.2
    diethyl carbonate 287.13
    propanediol butyl ether 447.53
    triethyl orthoformate 309.45
    p-tert-butyltoluene 257.08
    methyl 4-tert-butylbenzoate 480.46
    morpholine 869.47
    tert-butylamine 265.95
    n-dodecanol 153.18
    dimethoxymethane 577.46
    ethylene carbonate 622.67
    cyrene 435.6
    2-ethoxyethyl acetate 561.76
    2-ethylhexyl acetate 494.97
    1,2,4-trichlorobenzene 965.84
    4-methylpyridine 1078.89
    dibutyl ether 387.69
    2,6-dimethyl-4-heptanol 205.74
    DEF 628.36
    dimethyl isosorbide 752.14
    tetrachloroethylene 967.78
    eugenol 432.0
    triacetin 582.9
    span 80 433.4
    1,4-butanediol 159.95
    1,1-dichloroethane 1047.8
    2-methyl-1-pentanol 261.71
    methyl formate 385.53
    2-methyl-1-butanol 330.07
    n-decane 84.01
    butyronitrile 495.14
    3,7-dimethyl-1-octanol 304.88
    1-chlorooctane 292.81
    1-chlorotetradecane 132.65
    n-nonane 86.46
    undecane 63.16
    tert-butylcyclohexane 107.88
    cyclooctane 87.27
    cyclopentanol 545.52
    tetrahydropyran 860.16
    tert-amyl methyl ether 425.86
    2,5,8-trioxanonane 636.63
    1-hexene 247.41
    2-isopropoxyethanol 314.34
    2,2,2-trifluoroethanol 209.56
    methyl butyrate 448.91

    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