Thiazole, 2-octyl-4-propyl-

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  • Identifiers

    CAS number
    96693-82-2

    Molecular formula
    C14H25NS

    SMILES
    CCCCCCCCC1=NC(=CS1)CCC

    Safety labels

  • Odor profile

    Fragrance
    Green 73.51%
    Vegetable 53.6%
    Fatty 53.0%
    Meaty 49.9%
    Roasted 42.33%
    Nutty 41.54%
    Earthy 33.74%
    Savory 31.48%
    Sulfurous 30.38%
    Tropical 30.18%

     

    Flavor
    Green 57.23%
    Fatty 44.78%
    Herbal 38.0%
    Pepper 33.51%
    Earthy 32.57%
    Fat 29.29%
    Mushroom 28.85%
    Roasted 28.6%
    Oily 27.79%
    Waxy 27.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    6.61 (neutral)

    Molecular weight
    239.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 110.92 ˚C est.

  • Synonyms

    • Thiazole, 2-octyl-4-propyl-
    • 96693-82-2
    • RefChem:384525
    • 2-Octyl-4-propylthiazole
    • 2-Octyl-4-propyl-1,3-thiazole
    • DTXSID201310018
    • 96693-82-2

  • Applications

    Thiazole, 2-octyl-4-propyl- (CAS 96693-82-2) is primarily used as an odorant and fragrance intermediate in perfumery and cosmetics, contributing characteristic notes in formulations; it is also regarded as a synthetic intermediate for specialty chemicals in industrial manufacturing; it may serve as a fragrance ingredient in household and cleaning products; it can be used as an additive or modifier in polymers/plastics and coatings/inks to influence odor or formulation properties; in industrial contexts, it may function as a precursor for thiazole-containing materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2065.19
    methanol 1043.54
    isopropanol 1993.73
    water 0.02
    ethyl acetate 4832.79
    n-propanol 2012.66
    acetone 8406.3
    n-butanol 2339.39
    acetonitrile 2025.94
    DMF 4388.47
    toluene 3208.08
    isobutanol 1985.91
    1,4-dioxane 5936.41
    methyl acetate 3141.36
    THF 8913.32
    2-butanone 5508.7
    n-pentanol 1772.26
    sec-butanol 2004.01
    n-hexane 1008.74
    ethylene glycol 90.66
    NMP 3576.89
    cyclohexane 2480.07
    DMSO 4142.74
    n-butyl acetate 5500.05
    n-octanol 967.91
    chloroform 7686.04
    n-propyl acetate 3744.53
    acetic acid 1201.83
    dichloromethane 7611.06
    cyclohexanone 9856.18
    propylene glycol 277.63
    isopropyl acetate 3545.77
    DMAc 3417.71
    2-ethoxyethanol 1774.23
    isopentanol 2396.08
    n-heptane 758.93
    ethyl formate 1857.18
    1,2-dichloroethane 6487.63
    n-hexanol 2330.17
    2-methoxyethanol 2380.74
    isobutyl acetate 2476.1
    tetrachloromethane 1594.83
    n-pentyl acetate 2768.53
    transcutol 6044.21
    n-heptanol 862.94
    ethylbenzene 1259.14
    MIBK 2918.07
    2-propoxyethanol 2747.89
    tert-butanol 2364.93
    MTBE 4947.43
    2-butoxyethanol 1377.83
    propionic acid 1139.39
    o-xylene 1370.3
    formic acid 100.23
    diethyl ether 6228.18
    m-xylene 1549.33
    p-xylene 1673.54
    chlorobenzene 3447.38
    dimethyl carbonate 825.39
    n-octane 270.02
    formamide 238.73
    cyclopentanone 7261.57
    2-pentanone 5909.67
    anisole 1950.52
    cyclopentyl methyl ether 5229.18
    gamma-butyrolactone 5019.0
    1-methoxy-2-propanol 2081.04
    pyridine 5654.49
    3-pentanone 3928.58
    furfural 3054.24
    n-dodecane 156.04
    diethylene glycol 902.65
    diisopropyl ether 1815.59
    tert-amyl alcohol 2018.52
    acetylacetone 4630.08
    n-hexadecane 193.62
    acetophenone 1892.81
    methyl propionate 2968.65
    isopentyl acetate 4193.79
    trichloroethylene 9100.69
    n-nonanol 847.77
    cyclohexanol 3188.81
    benzyl alcohol 1343.49
    2-ethylhexanol 1692.37
    isooctanol 801.81
    dipropyl ether 3585.46
    1,2-dichlorobenzene 2566.84
    ethyl lactate 647.26
    propylene carbonate 2898.81
    n-methylformamide 1102.19
    2-pentanol 1893.66
    n-pentane 804.11
    1-propoxy-2-propanol 2452.28
    1-methoxy-2-propyl acetate 3010.95
    2-(2-methoxypropoxy) propanol 1043.46
    mesitylene 989.52
    ε-caprolactone 5535.84
    p-cymene 805.79
    epichlorohydrin 6361.17
    1,1,1-trichloroethane 6005.27
    2-aminoethanol 351.81
    morpholine-4-carbaldehyde 3497.49
    sulfolane 4898.52
    2,2,4-trimethylpentane 304.3
    2-methyltetrahydrofuran 7599.76
    n-hexyl acetate 2932.27
    isooctane 251.25
    2-(2-butoxyethoxy)ethanol 1680.53
    sec-butyl acetate 2402.4
    tert-butyl acetate 3222.2
    decalin 631.36
    glycerin 307.28
    diglyme 3666.05
    acrylic acid 704.75
    isopropyl myristate 980.0
    n-butyric acid 2981.65
    acetyl acetate 2297.34
    di(2-ethylhexyl) phthalate 663.53
    ethyl propionate 2461.77
    nitromethane 2317.43
    1,2-diethoxyethane 4717.32
    benzonitrile 2102.34
    trioctyl phosphate 526.01
    1-bromopropane 5169.19
    gamma-valerolactone 6303.61
    n-decanol 586.3
    triethyl phosphate 780.08
    4-methyl-2-pentanol 1055.74
    propionitrile 2108.18
    vinylene carbonate 2065.51
    1,1,2-trichlorotrifluoroethane 2614.24
    DMS 1524.96
    cumene 742.36
    2-octanol 742.26
    2-hexanone 4005.56
    octyl acetate 1163.66
    limonene 1652.93
    1,2-dimethoxyethane 4865.77
    ethyl orthosilicate 838.42
    tributyl phosphate 725.39
    diacetone alcohol 2058.08
    N,N-dimethylaniline 1187.49
    acrylonitrile 1727.94
    aniline 2246.14
    1,3-propanediol 893.01
    bromobenzene 4239.21
    dibromomethane 5800.06
    1,1,2,2-tetrachloroethane 7361.47
    2-methyl-cyclohexyl acetate 1700.17
    tetrabutyl urea 1031.55
    diisobutyl methanol 892.4
    2-phenylethanol 1449.29
    styrene 1865.21
    dioctyl adipate 1182.97
    dimethyl sulfate 1128.13
    ethyl butyrate 2964.75
    methyl lactate 641.95
    butyl lactate 1278.6
    diethyl carbonate 1377.51
    propanediol butyl ether 1013.15
    triethyl orthoformate 1757.98
    p-tert-butyltoluene 746.85
    methyl 4-tert-butylbenzoate 1133.82
    morpholine 6591.49
    tert-butylamine 1766.02
    n-dodecanol 460.58
    dimethoxymethane 3337.57
    ethylene carbonate 2340.06
    cyrene 987.39
    2-ethoxyethyl acetate 2919.46
    2-ethylhexyl acetate 3496.09
    1,2,4-trichlorobenzene 2677.78
    4-methylpyridine 6116.63
    dibutyl ether 2798.03
    2,6-dimethyl-4-heptanol 892.4
    DEF 4652.77
    dimethyl isosorbide 2008.17
    tetrachloroethylene 4643.94
    eugenol 1006.7
    triacetin 1694.49
    span 80 1164.29
    1,4-butanediol 398.94
    1,1-dichloroethane 6532.12
    2-methyl-1-pentanol 1656.86
    methyl formate 895.07
    2-methyl-1-butanol 2088.82
    n-decane 329.05
    butyronitrile 3406.97
    3,7-dimethyl-1-octanol 1021.81
    1-chlorooctane 1221.04
    1-chlorotetradecane 432.45
    n-nonane 348.12
    undecane 213.7
    tert-butylcyclohexane 467.54
    cyclooctane 635.58
    cyclopentanol 2496.88
    tetrahydropyran 9784.17
    tert-amyl methyl ether 2738.59
    2,5,8-trioxanonane 1930.55
    1-hexene 3145.7
    2-isopropoxyethanol 1448.86
    2,2,2-trifluoroethanol 302.8
    methyl butyrate 3879.86

    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