4-Methyl-3-thiazoline-5-ethanol

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  • Identifiers

    CAS number
    84041-80-5

    Molecular formula
    C6H11NOS

    SMILES
    CC1=NCSC1CCO

    Safety labels

  • Odor profile

    Fragrance
    Meaty 73.86%
    Nutty 73.61%
    Roasted 71.9%
    Cooked 43.48%
    Popcorn 42.13%
    Sulfurous 40.23%
    Vegetable 39.74%
    Beefy 38.37%
    Savory 34.65%
    Potato 33.62%

     

    Flavor
    Roasted 53.98%
    Sulfurous 39.3%
    Vegetable 35.49%
    Meaty 35.41%
    Nutty 32.76%
    Onion 30.55%
    Roast 29.11%
    Potato 28.2%
    Cooked 27.01%
    Sulfur 26.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    6.46 (neutral)

    Molecular weight
    145.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 126.42 ˚C est.

  • Synonyms

    • 84041-80-5
    • 5-Thiazoleethanol, 2,5-dihydro-4-methyl-
    • 4-Methyl-3-thiazoline-5-ethanol
    • EINECS 281-860-6
    • 195Q407A4U
    • DTXSID10888619
    • Ethanol, 2-(4-methyl-2,5-dihydro-5-thiazolyl)-
    • 3-THIAZOLINE-5-ETHANOL, 4-METHYL-
    • 2,5-DIHYDRO-4-METHYL-5-THIAZOLEETHANO
    • RefChem:525272
    • DTXCID401027895
    • 2-(4-methyl-2,5-dihydrothiazol-5-yl)ethanol
    • 2,5-Dihydro-4-methylthiazol-5-ethanol
    • UNII-195Q407A4U
    • 2-(4-methyl-2,5-dihydro-1,3-thiazol-5-yl)ethan-1-ol
    • CJZPPTPIWLYBJR-UHFFFAOYSA-N
    • 2,5-dihydro-4-methyl thiazol-5-ethanol
    • NS00012251
    • Q27252073
    • 84041-80-5

  • Applications

    4-Methyl-3-thiazoline-5-ethanol (CAS 84041-80-5) is a thiazoline-containing heterocycle bearing an alcohol group that is relevant to aroma and flavor chemistry; in practice it is often evaluated or used as an aroma ingredient or flavor intermediate in fragrance formulations and processed food applications, and may serve as a building block for the synthesis of related thiazoline-based aroma compounds. It may also be used in cosmetics and personal care as a fragrance component, and in household products for fragrance purposes; in industrial manufacturing, it can function as an intermediate or building block for the synthesis of thiazoline-containing compounds or other specialty chemicals, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 435.16
    methanol 741.61
    isopropanol 252.71
    water 36.37
    ethyl acetate 190.83
    n-propanol 295.34
    acetone 386.06
    n-butanol 195.47
    acetonitrile 339.62
    DMF 1157.15
    toluene 95.8
    isobutanol 164.36
    1,4-dioxane 553.78
    methyl acetate 249.95
    THF 525.08
    2-butanone 255.16
    n-pentanol 109.81
    sec-butanol 147.85
    n-hexane 1.01
    ethylene glycol 402.99
    NMP 553.04
    cyclohexane 5.12
    DMSO 1469.12
    n-butyl acetate 94.71
    n-octanol 62.19
    chloroform 781.33
    n-propyl acetate 81.15
    acetic acid 471.84
    dichloromethane 656.46
    cyclohexanone 350.51
    propylene glycol 306.0
    isopropyl acetate 93.37
    DMAc 520.44
    2-ethoxyethanol 353.92
    isopentanol 124.87
    n-heptane 3.61
    ethyl formate 238.08
    1,2-dichloroethane 315.67
    n-hexanol 122.69
    2-methoxyethanol 781.54
    isobutyl acetate 54.17
    tetrachloromethane 109.14
    n-pentyl acetate 76.83
    transcutol 539.61
    n-heptanol 70.51
    ethylbenzene 27.38
    MIBK 95.2
    2-propoxyethanol 329.52
    tert-butanol 204.86
    MTBE 78.41
    2-butoxyethanol 185.46
    propionic acid 286.54
    o-xylene 57.7
    formic acid 531.7
    diethyl ether 79.27
    m-xylene 64.63
    p-xylene 39.31
    chlorobenzene 197.57
    dimethyl carbonate 98.39
    n-octane 2.05
    formamide 564.83
    cyclopentanone 492.45
    2-pentanone 162.21
    anisole 130.89
    cyclopentyl methyl ether 156.72
    gamma-butyrolactone 550.26
    1-methoxy-2-propanol 427.95
    pyridine 516.83
    3-pentanone 106.0
    furfural 738.13
    n-dodecane 2.94
    diethylene glycol 441.09
    diisopropyl ether 20.44
    tert-amyl alcohol 125.95
    acetylacetone 246.19
    n-hexadecane 3.44
    acetophenone 139.08
    methyl propionate 173.47
    isopentyl acetate 81.08
    trichloroethylene 748.78
    n-nonanol 54.28
    cyclohexanol 130.72
    benzyl alcohol 161.2
    2-ethylhexanol 56.77
    isooctanol 52.97
    dipropyl ether 43.26
    1,2-dichlorobenzene 178.75
    ethyl lactate 86.12
    propylene carbonate 251.53
    n-methylformamide 713.2
    2-pentanol 84.09
    n-pentane 2.15
    1-propoxy-2-propanol 183.65
    1-methoxy-2-propyl acetate 147.69
    2-(2-methoxypropoxy) propanol 149.53
    mesitylene 37.87
    ε-caprolactone 260.63
    p-cymene 31.69
    epichlorohydrin 586.03
    1,1,1-trichloroethane 295.86
    2-aminoethanol 486.3
    morpholine-4-carbaldehyde 677.18
    sulfolane 669.09
    2,2,4-trimethylpentane 2.9
    2-methyltetrahydrofuran 251.91
    n-hexyl acetate 93.88
    isooctane 2.86
    2-(2-butoxyethoxy)ethanol 213.16
    sec-butyl acetate 50.13
    tert-butyl acetate 99.52
    decalin 4.16
    glycerin 545.68
    diglyme 391.92
    acrylic acid 339.01
    isopropyl myristate 38.42
    n-butyric acid 277.06
    acetyl acetate 132.28
    di(2-ethylhexyl) phthalate 57.35
    ethyl propionate 70.23
    nitromethane 898.03
    1,2-diethoxyethane 124.75
    benzonitrile 245.87
    trioctyl phosphate 41.78
    1-bromopropane 93.99
    gamma-valerolactone 744.28
    n-decanol 39.84
    triethyl phosphate 45.57
    4-methyl-2-pentanol 52.89
    propionitrile 219.29
    vinylene carbonate 326.35
    1,1,2-trichlorotrifluoroethane 536.86
    DMS 99.91
    cumene 22.69
    2-octanol 41.72
    2-hexanone 81.75
    octyl acetate 53.33
    limonene 41.57
    1,2-dimethoxyethane 343.82
    ethyl orthosilicate 41.21
    tributyl phosphate 43.66
    diacetone alcohol 182.48
    N,N-dimethylaniline 81.94
    acrylonitrile 412.25
    aniline 222.32
    1,3-propanediol 442.52
    bromobenzene 178.42
    dibromomethane 317.74
    1,1,2,2-tetrachloroethane 504.16
    2-methyl-cyclohexyl acetate 63.87
    tetrabutyl urea 61.13
    diisobutyl methanol 36.65
    2-phenylethanol 139.49
    styrene 44.0
    dioctyl adipate 62.88
    dimethyl sulfate 234.9
    ethyl butyrate 70.94
    methyl lactate 172.94
    butyl lactate 85.15
    diethyl carbonate 53.77
    propanediol butyl ether 179.11
    triethyl orthoformate 55.67
    p-tert-butyltoluene 31.89
    methyl 4-tert-butylbenzoate 129.29
    morpholine 544.88
    tert-butylamine 84.59
    n-dodecanol 29.64
    dimethoxymethane 343.65
    ethylene carbonate 228.29
    cyrene 170.83
    2-ethoxyethyl acetate 140.45
    2-ethylhexyl acetate 59.77
    1,2,4-trichlorobenzene 225.57
    4-methylpyridine 370.96
    dibutyl ether 37.4
    2,6-dimethyl-4-heptanol 36.65
    DEF 214.83
    dimethyl isosorbide 217.17
    tetrachloroethylene 363.46
    eugenol 147.69
    triacetin 114.74
    span 80 130.34
    1,4-butanediol 191.29
    1,1-dichloroethane 317.12
    2-methyl-1-pentanol 73.3
    methyl formate 468.4
    2-methyl-1-butanol 111.45
    n-decane 4.46
    butyronitrile 184.87
    3,7-dimethyl-1-octanol 54.78
    1-chlorooctane 28.94
    1-chlorotetradecane 12.02
    n-nonane 3.62
    undecane 3.5
    tert-butylcyclohexane 4.26
    cyclooctane 2.1
    cyclopentanol 200.25
    tetrahydropyran 244.74
    tert-amyl methyl ether 55.78
    2,5,8-trioxanonane 279.89
    1-hexene 8.14
    2-isopropoxyethanol 178.58
    2,2,2-trifluoroethanol 245.55
    methyl butyrate 101.73

    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