2-Propylthiazole

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  • Identifiers

    CAS number
    17626-75-4

    Molecular formula
    C6H9NS

    SMILES
    CCCC1=NC=CS1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 94.93%
    Vegetable 77.86%
    Herbal 58.7%
    Nutty 57.79%
    Tomato 42.72%
    Leafy 42.4%
    Earthy 41.17%
    Meaty 38.07%
    Fatty 36.67%
    Roasted 32.94%

     

    Flavor
    Green 89.31%
    Nutty 67.13%
    Vegetable 54.28%
    Earthy 42.07%
    Roasted 38.88%
    Fatty 36.3%
    Raw 34.49%
    Tomato 33.94%
    Pepper 33.5%
    Metallic 26.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.5 (weak acid)

    Molecular weight
    127.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 53.42 ˚C est.

  • Synonyms

    • 2-Propylthiazole
    • 17626-75-4
    • 2-Propyl-1,3-thiazole
    • Thiazole, 2-propyl-
    • 2-n-Propylthiazole
    • UNII-T395979VRL
    • T395979VRL
    • EINECS 241-606-7
    • DTXSID7066229
    • Thiazole,2-propyl-
    • 2-propylthiazol
    • MFCD00053154
    • thiazole, 2-n-propyl-
    • 2-Propyl-1,3-thiazole #
    • SCHEMBL257550
    • DTXCID6035609
    • AKOS005256913
    • TS-01670
    • DB-065145
    • CS-0152406
    • NS00021758
    • P1837
    • D84132
    • Q27289608
    • 241-606-7

  • Applications

    2-Propylthiazole (CAS 17626-75-4) is commonly regarded as an aroma compound in the fragrance and personal care industries, where it functions as a fragrance ingredient or aroma component in perfumes, cleansers, and related products. It is also evaluated as a potential flavor/aroma constituent for food and beverage applications at research or limited commercial levels. In cleaning and household products, it may be used as an odorant additive to improve scent profiles. Additionally, the compound often serves as an intermediate or building block in industrial organic synthesis for applications including pharmaceutical and agrochemical development and other specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 294.27
    methanol 317.22
    isopropanol 233.86
    water 0.86
    ethyl acetate 308.7
    n-propanol 260.05
    acetone 681.89
    n-butanol 272.49
    acetonitrile 316.39
    DMF 916.16
    toluene 313.7
    isobutanol 227.48
    1,4-dioxane 633.13
    methyl acetate 311.55
    THF 999.58
    2-butanone 454.1
    n-pentanol 230.4
    sec-butanol 228.56
    n-hexane 68.29
    ethylene glycol 101.46
    NMP 990.7
    cyclohexane 107.42
    DMSO 1128.78
    n-butyl acetate 362.87
    n-octanol 198.75
    chloroform 1121.12
    n-propyl acetate 271.03
    acetic acid 308.41
    dichloromethane 960.37
    cyclohexanone 851.52
    propylene glycol 137.78
    isopropyl acetate 225.12
    DMAc 596.5
    2-ethoxyethanol 303.34
    isopentanol 234.96
    n-heptane 77.7
    ethyl formate 216.7
    1,2-dichloroethane 618.34
    n-hexanol 344.25
    2-methoxyethanol 426.35
    isobutyl acetate 222.27
    tetrachloromethane 249.7
    n-pentyl acetate 249.11
    transcutol 847.03
    n-heptanol 173.99
    ethylbenzene 154.67
    MIBK 278.12
    2-propoxyethanol 473.29
    tert-butanol 295.16
    MTBE 297.15
    2-butoxyethanol 264.35
    propionic acid 276.54
    o-xylene 194.67
    formic acid 67.76
    diethyl ether 307.82
    m-xylene 220.81
    p-xylene 213.72
    chlorobenzene 496.02
    dimethyl carbonate 172.36
    n-octane 37.07
    formamide 90.86
    cyclopentanone 988.55
    2-pentanone 408.89
    anisole 315.0
    cyclopentyl methyl ether 464.43
    gamma-butyrolactone 840.49
    1-methoxy-2-propanol 367.77
    pyridine 628.86
    3-pentanone 318.55
    furfural 798.98
    n-dodecane 35.16
    diethylene glycol 356.36
    diisopropyl ether 125.39
    tert-amyl alcohol 256.61
    acetylacetone 466.2
    n-hexadecane 40.34
    acetophenone 327.61
    methyl propionate 282.43
    isopentyl acetate 315.79
    trichloroethylene 1138.68
    n-nonanol 165.16
    cyclohexanol 321.44
    benzyl alcohol 263.11
    2-ethylhexanol 224.26
    isooctanol 149.78
    dipropyl ether 261.73
    1,2-dichlorobenzene 443.85
    ethyl lactate 154.35
    propylene carbonate 468.91
    n-methylformamide 287.51
    2-pentanol 194.8
    n-pentane 65.16
    1-propoxy-2-propanol 350.97
    1-methoxy-2-propyl acetate 327.88
    2-(2-methoxypropoxy) propanol 275.11
    mesitylene 158.82
    ε-caprolactone 583.03
    p-cymene 137.64
    epichlorohydrin 765.44
    1,1,1-trichloroethane 699.18
    2-aminoethanol 156.86
    morpholine-4-carbaldehyde 790.59
    sulfolane 1258.6
    2,2,4-trimethylpentane 48.39
    2-methyltetrahydrofuran 642.08
    n-hexyl acetate 361.49
    isooctane 41.26
    2-(2-butoxyethoxy)ethanol 361.96
    sec-butyl acetate 193.12
    tert-butyl acetate 285.99
    decalin 75.51
    glycerin 208.4
    diglyme 609.09
    acrylic acid 272.85
    isopropyl myristate 157.52
    n-butyric acid 355.38
    acetyl acetate 235.31
    di(2-ethylhexyl) phthalate 163.33
    ethyl propionate 208.08
    nitromethane 499.47
    1,2-diethoxyethane 345.59
    benzonitrile 422.46
    trioctyl phosphate 119.12
    1-bromopropane 397.41
    gamma-valerolactone 909.03
    n-decanol 131.17
    triethyl phosphate 134.67
    4-methyl-2-pentanol 135.28
    propionitrile 290.77
    vinylene carbonate 440.79
    1,1,2-trichlorotrifluoroethane 537.62
    DMS 271.81
    cumene 123.08
    2-octanol 142.28
    2-hexanone 343.47
    octyl acetate 192.77
    limonene 209.89
    1,2-dimethoxyethane 508.59
    ethyl orthosilicate 130.75
    tributyl phosphate 141.37
    diacetone alcohol 319.02
    N,N-dimethylaniline 232.15
    acrylonitrile 356.71
    aniline 319.26
    1,3-propanediol 220.39
    bromobenzene 583.99
    dibromomethane 681.82
    1,1,2,2-tetrachloroethane 883.79
    2-methyl-cyclohexyl acetate 240.14
    tetrabutyl urea 204.74
    diisobutyl methanol 138.51
    2-phenylethanol 285.82
    styrene 216.69
    dioctyl adipate 203.55
    dimethyl sulfate 340.3
    ethyl butyrate 235.2
    methyl lactate 190.8
    butyl lactate 200.96
    diethyl carbonate 162.33
    propanediol butyl ether 294.54
    triethyl orthoformate 173.97
    p-tert-butyltoluene 137.28
    methyl 4-tert-butylbenzoate 277.89
    morpholine 618.53
    tert-butylamine 196.12
    n-dodecanol 111.86
    dimethoxymethane 414.83
    ethylene carbonate 347.9
    cyrene 324.17
    2-ethoxyethyl acetate 297.99
    2-ethylhexyl acetate 264.2
    1,2,4-trichlorobenzene 527.23
    4-methylpyridine 625.67
    dibutyl ether 237.89
    2,6-dimethyl-4-heptanol 138.51
    DEF 435.11
    dimethyl isosorbide 467.05
    tetrachloroethylene 578.65
    eugenol 294.93
    triacetin 301.86
    span 80 281.27
    1,4-butanediol 134.68
    1,1-dichloroethane 625.55
    2-methyl-1-pentanol 212.56
    methyl formate 256.46
    2-methyl-1-butanol 232.52
    n-decane 52.27
    butyronitrile 316.52
    3,7-dimethyl-1-octanol 183.26
    1-chlorooctane 184.02
    1-chlorotetradecane 87.98
    n-nonane 54.24
    undecane 41.22
    tert-butylcyclohexane 72.17
    cyclooctane 47.26
    cyclopentanol 359.44
    tetrahydropyran 591.14
    tert-amyl methyl ether 233.54
    2,5,8-trioxanonane 436.55
    1-hexene 198.58
    2-isopropoxyethanol 244.0
    2,2,2-trifluoroethanol 123.02
    methyl butyrate 299.56

    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