2,5-Diethylthiazole

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  • Identifiers

    CAS number
    15729-76-7

    Molecular formula
    C7H11NS

    SMILES
    CCC1=CN=C(S1)CC

  • Odor profile

    Fragrance
    Green 89.76%
    Nutty 67.87%
    Vegetable 59.99%
    Roasted 52.22%
    Meaty 48.29%
    Earthy 46.66%
    Sulfurous 44.75%
    Cocoa 38.98%
    Fruity 37.98%
    Musty 36.58%

     

    Flavor
    Green 78.35%
    Nutty 60.06%
    Vegetable 46.89%
    Earthy 43.8%
    Roasted 35.06%
    Raw 32.18%
    Fatty 30.36%
    Pepper 29.57%
    Tomato 29.14%
    Fruit 27.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.98 (neutral)

    Molecular weight
    141.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 104 °C

    Boiling point

    • 187.00 °C. @ 760.00 mm Hg

    Flash point

    • 59.91 ˚C est.

  • Synonyms

    • 2,5-Diethylthiazole
    • 15729-76-7
    • 2,5-Diethyl-1,3-thiazole
    • Thiazole, 2,5-diethyl-
    • EINECS 239-823-7
    • UNII-4U6DG183QZ
    • 4U6DG183QZ
    • DTXSID10166242
    • 2,5-Diethyl thiazole
    • SCHEMBL2822381
    • DTXCID2088733
    • 2,5-Diethyl-1,3-thiazole #
    • AKOS006275605
    • DB-043349
    • NS00021704
    • Q27260507
    • 239-823-7

  • Applications

    2,5-Diethylthiazole (CAS 15729-76-7) is a heteroaromatic compound with a distinctive odor and is commonly used as a fragrance material in perfumery and as an odorant in cosmetics and personal care formulations, with potential use in some household cleaning products. It also serves as an intermediate or building block in industrial organic synthesis for specialty chemicals, including pharmaceutical and agrochemical derivatives. In polymer and plastics chemistry, it can function as a heterocyclic building block for advanced materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 228.61
    methanol 213.19
    isopropanol 218.55
    water 0.73
    ethyl acetate 351.06
    n-propanol 227.7
    acetone 615.06
    n-butanol 242.68
    acetonitrile 343.96
    DMF 955.37
    toluene 458.38
    isobutanol 216.47
    1,4-dioxane 733.88
    methyl acetate 422.6
    THF 916.08
    2-butanone 565.22
    n-pentanol 222.5
    sec-butanol 239.15
    n-hexane 70.73
    ethylene glycol 53.28
    NMP 1094.53
    cyclohexane 146.43
    DMSO 714.33
    n-butyl acetate 579.04
    n-octanol 254.56
    chloroform 1761.12
    n-propyl acetate 360.84
    acetic acid 255.46
    dichloromethane 1567.77
    cyclohexanone 1032.09
    propylene glycol 77.54
    isopropyl acetate 267.78
    DMAc 715.87
    2-ethoxyethanol 283.81
    isopentanol 226.99
    n-heptane 107.76
    ethyl formate 321.76
    1,2-dichloroethane 842.73
    n-hexanol 333.6
    2-methoxyethanol 346.18
    isobutyl acetate 284.05
    tetrachloromethane 461.59
    n-pentyl acetate 421.93
    transcutol 644.08
    n-heptanol 217.2
    ethylbenzene 283.27
    MIBK 298.73
    2-propoxyethanol 416.75
    tert-butanol 295.95
    MTBE 325.25
    2-butoxyethanol 300.83
    propionic acid 237.77
    o-xylene 324.04
    formic acid 46.46
    diethyl ether 294.77
    m-xylene 320.75
    p-xylene 425.53
    chlorobenzene 777.93
    dimethyl carbonate 209.33
    n-octane 64.5
    formamide 85.97
    cyclopentanone 1093.22
    2-pentanone 438.31
    anisole 466.16
    cyclopentyl methyl ether 455.11
    gamma-butyrolactone 993.61
    1-methoxy-2-propanol 290.43
    pyridine 912.35
    3-pentanone 384.4
    furfural 990.23
    n-dodecane 61.94
    diethylene glycol 234.98
    diisopropyl ether 141.31
    tert-amyl alcohol 278.9
    acetylacetone 514.58
    n-hexadecane 71.41
    acetophenone 493.72
    methyl propionate 309.32
    isopentyl acetate 476.5
    trichloroethylene 1735.44
    n-nonanol 226.26
    cyclohexanol 336.65
    benzyl alcohol 351.98
    2-ethylhexanol 283.41
    isooctanol 198.06
    dipropyl ether 316.1
    1,2-dichlorobenzene 732.75
    ethyl lactate 172.12
    propylene carbonate 628.96
    n-methylformamide 294.62
    2-pentanol 189.0
    n-pentane 64.29
    1-propoxy-2-propanol 338.55
    1-methoxy-2-propyl acetate 395.05
    2-(2-methoxypropoxy) propanol 314.25
    mesitylene 241.36
    ε-caprolactone 740.82
    p-cymene 261.28
    epichlorohydrin 915.1
    1,1,1-trichloroethane 1067.82
    2-aminoethanol 100.86
    morpholine-4-carbaldehyde 884.64
    sulfolane 1194.3
    2,2,4-trimethylpentane 57.13
    2-methyltetrahydrofuran 712.81
    n-hexyl acetate 531.02
    isooctane 47.84
    2-(2-butoxyethoxy)ethanol 360.14
    sec-butyl acetate 252.25
    tert-butyl acetate 325.79
    decalin 103.41
    glycerin 115.62
    diglyme 694.84
    acrylic acid 222.4
    isopropyl myristate 266.23
    n-butyric acid 340.86
    acetyl acetate 287.43
    di(2-ethylhexyl) phthalate 236.94
    ethyl propionate 283.99
    nitromethane 510.81
    1,2-diethoxyethane 429.62
    benzonitrile 729.52
    trioctyl phosphate 179.34
    1-bromopropane 494.83
    gamma-valerolactone 1091.07
    n-decanol 179.3
    triethyl phosphate 222.2
    4-methyl-2-pentanol 137.56
    propionitrile 355.45
    vinylene carbonate 657.49
    1,1,2-trichlorotrifluoroethane 556.16
    DMS 375.72
    cumene 215.87
    2-octanol 200.47
    2-hexanone 420.82
    octyl acetate 305.58
    limonene 361.36
    1,2-dimethoxyethane 617.45
    ethyl orthosilicate 207.64
    tributyl phosphate 217.09
    diacetone alcohol 306.05
    N,N-dimethylaniline 363.22
    acrylonitrile 462.38
    aniline 393.78
    1,3-propanediol 166.96
    bromobenzene 944.45
    dibromomethane 1018.89
    1,1,2,2-tetrachloroethane 1250.96
    2-methyl-cyclohexyl acetate 374.96
    tetrabutyl urea 302.5
    diisobutyl methanol 180.18
    2-phenylethanol 389.53
    styrene 391.0
    dioctyl adipate 319.82
    dimethyl sulfate 350.99
    ethyl butyrate 409.4
    methyl lactate 167.51
    butyl lactate 274.31
    diethyl carbonate 295.95
    propanediol butyl ether 270.41
    triethyl orthoformate 287.68
    p-tert-butyltoluene 251.47
    methyl 4-tert-butylbenzoate 412.22
    morpholine 651.81
    tert-butylamine 213.1
    n-dodecanol 150.92
    dimethoxymethane 435.14
    ethylene carbonate 505.93
    cyrene 375.99
    2-ethoxyethyl acetate 422.48
    2-ethylhexyl acetate 432.7
    1,2,4-trichlorobenzene 835.14
    4-methylpyridine 1006.06
    dibutyl ether 354.26
    2,6-dimethyl-4-heptanol 180.18
    DEF 505.36
    dimethyl isosorbide 626.68
    tetrachloroethylene 814.18
    eugenol 395.97
    triacetin 426.6
    span 80 328.17
    1,4-butanediol 110.17
    1,1-dichloroethane 885.07
    2-methyl-1-pentanol 225.75
    methyl formate 282.31
    2-methyl-1-butanol 226.95
    n-decane 89.95
    butyronitrile 397.54
    3,7-dimethyl-1-octanol 247.91
    1-chlorooctane 270.16
    1-chlorotetradecane 136.56
    n-nonane 88.75
    undecane 71.85
    tert-butylcyclohexane 96.66
    cyclooctane 65.06
    cyclopentanol 381.46
    tetrahydropyran 641.36
    tert-amyl methyl ether 279.31
    2,5,8-trioxanonane 516.55
    1-hexene 213.69
    2-isopropoxyethanol 246.78
    2,2,2-trifluoroethanol 121.56
    methyl butyrate 422.09

    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