2-Pentylthiazole

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  • Identifiers

    CAS number
    37645-62-8

    Molecular formula
    C8H13NS

    SMILES
    CCCCCC1=NC=CS1

  • Odor profile

    Fragrance
    Green 92.88%
    Vegetable 75.7%
    Herbal 56.97%
    Fatty 54.76%
    Nutty 52.76%
    Earthy 45.99%
    Meaty 42.12%
    Leafy 36.27%
    Tomato 33.68%
    Roasted 33.34%

     

    Flavor
    Green 90.33%
    Fatty 52.21%
    Vegetable 49.25%
    Nutty 46.85%
    Earthy 44.93%
    Pepper 44.47%
    Herbal 44.39%
    Fruity 37.64%
    Metallic 33.62%
    Mushroom 32.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    5.7 (weak acid)

    Molecular weight
    155.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 78.79 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Pentylthiazole
    • Thiazole, 2-pentyl-
    • 2-n-Amylthiazole
    • FEMA No. 4641
    • 37645-62-8
    • UNII-61L975EI3C
    • 2-PENTYL-1,3-THIAZOLE
    • 61L975EI3C
    • DTXSID10191074
    • 2-Amyl thiazole
    • SCHEMBL244221
    • DTXCID20113565
    • AKOS006370479
    • Q27263349

  • Applications

    2-Pentylthiazole (CAS 37645-62-8) is primarily used as an aroma and flavor ingredient, contributing distinctive notes in perfumery and fragrance formulations and in flavor systems for select food and beverage applications. It is also evaluated as a specialty odorant for cosmetics/personal care and for household and cleaning products where odor profiles are important. In industrial contexts, it serves as a chemical intermediate for the synthesis of more complex thiazole-containing compounds in pharmaceutical and agrochemical research and development, and may be employed as a fragrance additive in coatings, inks, and related formulation areas. Use is typically governed by formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1370.23
    methanol 1190.76
    isopropanol 834.48
    water 0.21
    ethyl acetate 1514.87
    n-propanol 963.08
    acetone 3191.09
    n-butanol 1018.71
    acetonitrile 1030.05
    DMF 2151.95
    toluene 1089.47
    isobutanol 737.26
    1,4-dioxane 2602.88
    methyl acetate 1092.32
    THF 3008.43
    2-butanone 1696.97
    n-pentanol 722.94
    sec-butanol 653.23
    n-hexane 139.48
    ethylene glycol 192.36
    NMP 1460.11
    cyclohexane 390.58
    DMSO 2619.48
    n-butyl acetate 1434.6
    n-octanol 267.72
    chloroform 3137.23
    n-propyl acetate 841.13
    acetic acid 1075.61
    dichloromethane 2893.84
    cyclohexanone 2535.08
    propylene glycol 303.27
    isopropyl acetate 861.7
    DMAc 1168.0
    2-ethoxyethanol 881.12
    isopentanol 867.6
    n-heptane 128.19
    ethyl formate 744.21
    1,2-dichloroethane 2251.48
    n-hexanol 929.77
    2-methoxyethanol 1505.92
    isobutyl acetate 565.91
    tetrachloromethane 542.86
    n-pentyl acetate 544.04
    transcutol 3197.73
    n-heptanol 281.24
    ethylbenzene 302.93
    MIBK 700.83
    2-propoxyethanol 1305.99
    tert-butanol 922.32
    MTBE 1139.61
    2-butoxyethanol 532.5
    propionic acid 656.78
    o-xylene 377.23
    formic acid 217.42
    diethyl ether 1802.23
    m-xylene 468.93
    p-xylene 413.43
    chlorobenzene 1261.77
    dimethyl carbonate 353.58
    n-octane 38.33
    formamide 335.83
    cyclopentanone 2176.0
    2-pentanone 1637.45
    anisole 653.48
    cyclopentyl methyl ether 1358.92
    gamma-butyrolactone 1664.02
    1-methoxy-2-propanol 1021.32
    pyridine 2500.24
    3-pentanone 1058.44
    furfural 1547.13
    n-dodecane 32.69
    diethylene glycol 790.62
    diisopropyl ether 367.25
    tert-amyl alcohol 614.51
    acetylacetone 1535.87
    n-hexadecane 39.64
    acetophenone 578.5
    methyl propionate 942.23
    isopentyl acetate 1016.67
    trichloroethylene 3617.14
    n-nonanol 238.81
    cyclohexanol 952.12
    benzyl alcohol 587.77
    2-ethylhexanol 502.92
    isooctanol 219.84
    dipropyl ether 816.6
    1,2-dichlorobenzene 877.58
    ethyl lactate 239.07
    propylene carbonate 1009.16
    n-methylformamide 724.27
    2-pentanol 588.5
    n-pentane 146.0
    1-propoxy-2-propanol 911.42
    1-methoxy-2-propyl acetate 965.26
    2-(2-methoxypropoxy) propanol 472.1
    mesitylene 256.5
    ε-caprolactone 1483.9
    p-cymene 209.21
    epichlorohydrin 2205.17
    1,1,1-trichloroethane 1843.85
    2-aminoethanol 411.26
    morpholine-4-carbaldehyde 1663.3
    sulfolane 1648.29
    2,2,4-trimethylpentane 65.57
    2-methyltetrahydrofuran 2067.57
    n-hexyl acetate 648.36
    isooctane 55.78
    2-(2-butoxyethoxy)ethanol 719.9
    sec-butyl acetate 510.38
    tert-butyl acetate 799.67
    decalin 118.54
    glycerin 392.11
    diglyme 1437.4
    acrylic acid 533.27
    isopropyl myristate 237.31
    n-butyric acid 1212.51
    acetyl acetate 788.63
    di(2-ethylhexyl) phthalate 232.06
    ethyl propionate 544.64
    nitromethane 1618.4
    1,2-diethoxyethane 1508.72
    benzonitrile 879.16
    trioctyl phosphate 155.71
    1-bromopropane 1348.33
    gamma-valerolactone 2395.41
    n-decanol 178.71
    triethyl phosphate 233.71
    4-methyl-2-pentanol 306.85
    propionitrile 838.78
    vinylene carbonate 876.02
    1,1,2-trichlorotrifluoroethane 1343.49
    DMS 502.72
    cumene 176.15
    2-octanol 179.37
    2-hexanone 973.48
    octyl acetate 291.78
    limonene 401.18
    1,2-dimethoxyethane 1718.9
    ethyl orthosilicate 250.34
    tributyl phosphate 215.1
    diacetone alcohol 679.57
    N,N-dimethylaniline 355.53
    acrylonitrile 839.33
    aniline 998.42
    1,3-propanediol 660.21
    bromobenzene 1431.23
    dibromomethane 2033.62
    1,1,2,2-tetrachloroethane 2574.23
    2-methyl-cyclohexyl acetate 465.41
    tetrabutyl urea 284.67
    diisobutyl methanol 251.75
    2-phenylethanol 660.32
    styrene 527.88
    dioctyl adipate 337.56
    dimethyl sulfate 486.42
    ethyl butyrate 701.13
    methyl lactate 320.29
    butyl lactate 369.21
    diethyl carbonate 391.25
    propanediol butyl ether 475.9
    triethyl orthoformate 460.94
    p-tert-butyltoluene 205.8
    methyl 4-tert-butylbenzoate 341.12
    morpholine 2693.33
    tert-butylamine 619.26
    n-dodecanol 141.91
    dimethoxymethane 1330.45
    ethylene carbonate 826.32
    cyrene 418.34
    2-ethoxyethyl acetate 834.37
    2-ethylhexyl acetate 798.77
    1,2,4-trichlorobenzene 950.6
    4-methylpyridine 2174.66
    dibutyl ether 577.91
    2,6-dimethyl-4-heptanol 251.75
    DEF 1423.61
    dimethyl isosorbide 789.6
    tetrachloroethylene 1778.92
    eugenol 389.52
    triacetin 516.01
    span 80 474.94
    1,4-butanediol 288.69
    1,1-dichloroethane 2030.06
    2-methyl-1-pentanol 579.51
    methyl formate 591.88
    2-methyl-1-butanol 723.71
    n-decane 55.39
    butyronitrile 1179.07
    3,7-dimethyl-1-octanol 296.08
    1-chlorooctane 242.74
    1-chlorotetradecane 99.37
    n-nonane 54.25
    undecane 41.37
    tert-butylcyclohexane 93.1
    cyclooctane 101.62
    cyclopentanol 790.57
    tetrahydropyran 2814.19
    tert-amyl methyl ether 632.2
    2,5,8-trioxanonane 881.21
    1-hexene 594.05
    2-isopropoxyethanol 582.13
    2,2,2-trifluoroethanol 279.06
    methyl butyrate 834.47

    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