2-Methyl-4-Pentyloxazole

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  • Identifiers

    CAS number
    102586-52-7

    Molecular formula
    C9H15NO

    SMILES
    CCCCCC1=COC(=N1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 79.29%
    Fatty 58.0%
    Vegetable 57.33%
    Nutty 46.82%
    Roasted 46.29%
    Meaty 44.55%
    Earthy 41.93%
    Fruity 32.73%
    Herbal 31.8%
    Burnt 28.95%

     

    Flavor
    Green 59.6%
    Roasted 49.45%
    Earthy 48.49%
    Fatty 43.08%
    Vegetable 40.55%
    Nutty 39.71%
    Burnt 35.79%
    Pepper 35.69%
    Meaty 33.44%
    Mushroom 31.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.3 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 75.96 ˚C est.

  • Synonyms

    • 2-Methyl-4-Pentyloxazole
    • 2-methyl-4-pentyl-1,3-oxazole
    • 102586-52-7
    • RefChem:88149
    • ZXUCSFQOFMHELZ-UHFFFAOYSA-N
    • SCHEMBL5537302
    • SCHEMBL5537310
    • SCHEMBL5543199
    • CHEBI:189811
    • DTXSID501313273
    • 102586-52-7

  • Applications

    2-Methyl-4-Pentyloxazole (CAS 102586-52-7) is a heteroaromatic oxazole derivative primarily used as an organic synthesis intermediate to assemble oxazole-containing structures for pharmaceutical and specialty chemical applications; it also serves as a building block for polymer and materials systems containing oxazole, with potential applications in coatings and finishes and in materials development research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3573.6
    methanol 5362.21
    isopropanol 2077.62
    water 1.24
    ethyl acetate 1928.43
    n-propanol 2404.41
    acetone 3475.84
    n-butanol 2121.13
    acetonitrile 1815.69
    DMF 3606.21
    toluene 852.97
    isobutanol 1812.44
    1,4-dioxane 2531.4
    methyl acetate 1504.15
    THF 3446.19
    2-butanone 1956.96
    n-pentanol 1277.26
    sec-butanol 1731.07
    n-hexane 262.04
    ethylene glycol 635.28
    NMP 2385.99
    cyclohexane 378.73
    DMSO 4111.24
    n-butyl acetate 1494.63
    n-octanol 449.59
    chloroform 4401.31
    n-propyl acetate 874.2
    acetic acid 2143.9
    dichloromethane 4289.06
    cyclohexanone 2832.41
    propylene glycol 945.98
    isopropyl acetate 1138.02
    DMAc 2126.14
    2-ethoxyethanol 1225.43
    isopentanol 1702.49
    n-heptane 101.68
    ethyl formate 1153.46
    1,2-dichloroethane 2514.15
    n-hexanol 1353.83
    2-methoxyethanol 2558.15
    isobutyl acetate 611.41
    tetrachloromethane 700.26
    n-pentyl acetate 682.17
    transcutol 3858.55
    n-heptanol 420.59
    ethylbenzene 352.52
    MIBK 962.35
    2-propoxyethanol 1767.77
    tert-butanol 2038.28
    MTBE 2089.04
    2-butoxyethanol 731.61
    propionic acid 1494.84
    o-xylene 425.45
    formic acid 826.11
    diethyl ether 1961.38
    m-xylene 531.99
    p-xylene 468.08
    chlorobenzene 1280.32
    dimethyl carbonate 554.0
    n-octane 42.22
    formamide 979.28
    cyclopentanone 2881.29
    2-pentanone 1853.7
    anisole 745.34
    cyclopentyl methyl ether 1758.18
    gamma-butyrolactone 2693.97
    1-methoxy-2-propanol 1740.23
    pyridine 2199.78
    3-pentanone 1148.66
    furfural 1929.68
    n-dodecane 38.85
    diethylene glycol 1147.63
    diisopropyl ether 498.83
    tert-amyl alcohol 1592.37
    acetylacetone 1733.96
    n-hexadecane 45.21
    acetophenone 626.61
    methyl propionate 1321.56
    isopentyl acetate 1267.34
    trichloroethylene 4285.17
    n-nonanol 369.04
    cyclohexanol 1615.94
    benzyl alcohol 757.51
    2-ethylhexanol 663.14
    isooctanol 338.96
    dipropyl ether 696.18
    1,2-dichlorobenzene 1019.48
    ethyl lactate 346.57
    propylene carbonate 1364.17
    n-methylformamide 1648.43
    2-pentanol 1168.81
    n-pentane 211.69
    1-propoxy-2-propanol 1182.77
    1-methoxy-2-propyl acetate 1112.03
    2-(2-methoxypropoxy) propanol 679.58
    mesitylene 312.38
    ε-caprolactone 1911.31
    p-cymene 223.2
    epichlorohydrin 2778.08
    1,1,1-trichloroethane 2221.83
    2-aminoethanol 1242.95
    morpholine-4-carbaldehyde 1895.27
    sulfolane 2947.4
    2,2,4-trimethylpentane 120.09
    2-methyltetrahydrofuran 2725.62
    n-hexyl acetate 971.56
    isooctane 86.42
    2-(2-butoxyethoxy)ethanol 1015.84
    sec-butyl acetate 606.38
    tert-butyl acetate 1066.93
    decalin 151.58
    glycerin 916.14
    diglyme 1512.6
    acrylic acid 1221.05
    isopropyl myristate 308.15
    n-butyric acid 2409.69
    acetyl acetate 985.2
    di(2-ethylhexyl) phthalate 342.4
    ethyl propionate 727.59
    nitromethane 2489.01
    1,2-diethoxyethane 1391.0
    benzonitrile 1018.58
    trioctyl phosphate 233.29
    1-bromopropane 1740.59
    gamma-valerolactone 2894.4
    n-decanol 267.24
    triethyl phosphate 259.92
    4-methyl-2-pentanol 592.09
    propionitrile 1602.7
    vinylene carbonate 1252.58
    1,1,2-trichlorotrifluoroethane 1814.71
    DMS 694.37
    cumene 236.92
    2-octanol 316.36
    2-hexanone 978.01
    octyl acetate 410.56
    limonene 418.79
    1,2-dimethoxyethane 2061.91
    ethyl orthosilicate 283.06
    tributyl phosphate 329.41
    diacetone alcohol 1006.9
    N,N-dimethylaniline 466.43
    acrylonitrile 1735.19
    aniline 1263.02
    1,3-propanediol 1481.52
    bromobenzene 1495.41
    dibromomethane 2811.69
    1,1,2,2-tetrachloroethane 3345.28
    2-methyl-cyclohexyl acetate 522.14
    tetrabutyl urea 396.27
    diisobutyl methanol 316.21
    2-phenylethanol 736.78
    styrene 533.33
    dioctyl adipate 445.01
    dimethyl sulfate 810.45
    ethyl butyrate 696.39
    methyl lactate 577.49
    butyl lactate 509.77
    diethyl carbonate 418.93
    propanediol butyl ether 784.58
    triethyl orthoformate 448.61
    p-tert-butyltoluene 216.86
    methyl 4-tert-butylbenzoate 523.62
    morpholine 3131.99
    tert-butylamine 1419.62
    n-dodecanol 198.93
    dimethoxymethane 1762.55
    ethylene carbonate 1124.6
    cyrene 535.44
    2-ethoxyethyl acetate 910.26
    2-ethylhexyl acetate 906.09
    1,2,4-trichlorobenzene 1096.36
    4-methylpyridine 2215.58
    dibutyl ether 642.61
    2,6-dimethyl-4-heptanol 316.21
    DEF 1850.16
    dimethyl isosorbide 1006.79
    tetrachloroethylene 2271.66
    eugenol 543.9
    triacetin 665.92
    span 80 662.01
    1,4-butanediol 597.9
    1,1-dichloroethane 2643.95
    2-methyl-1-pentanol 1133.77
    methyl formate 1151.62
    2-methyl-1-butanol 1595.22
    n-decane 63.2
    butyronitrile 1856.44
    3,7-dimethyl-1-octanol 471.63
    1-chlorooctane 321.67
    1-chlorotetradecane 123.43
    n-nonane 63.08
    undecane 47.65
    tert-butylcyclohexane 146.92
    cyclooctane 94.22
    cyclopentanol 1636.45
    tetrahydropyran 2826.57
    tert-amyl methyl ether 1160.78
    2,5,8-trioxanonane 1031.32
    1-hexene 925.13
    2-isopropoxyethanol 836.05
    2,2,2-trifluoroethanol 551.69
    methyl butyrate 1107.78

    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