4-Methyl-2-pentyloxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    52713-58-3

    Molecular formula
    C9H15NO

    SMILES
    CCCCCC1=NC(=CO1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 77.82%
    Fatty 59.61%
    Vegetable 56.62%
    Roasted 47.67%
    Nutty 47.23%
    Meaty 43.29%
    Earthy 42.98%
    Fruity 35.73%
    Herbal 32.78%
    Burnt 30.68%

     

    Flavor
    Green 68.77%
    Earthy 49.97%
    Roasted 46.52%
    Vegetable 43.09%
    Fatty 42.32%
    Nutty 39.23%
    Pepper 37.12%
    Burnt 33.44%
    Mushroom 32.91%
    Meaty 30.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.9 (neutral)

    Molecular weight
    153.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 77.25 ˚C est.

  • Synonyms

    • 4-Methyl-2-pentyloxazole
    • 2-pentyl-4-methyoxazole
    • 4-methyl-2-pentyl-1,3-oxazole
    • CHEBI:196453
    • QPKLQTHGELMTTA-UHFFFAOYSA-N
    • DTXSID301312829
    • 52713-58-3
    • 52713-58-3

  • Applications

    4-Methyl-2-pentyloxazole (CAS 52713-58-3) can serve as a synthetic building block for oxazole-containing compounds, supporting the development of heterocyclic structures in pharmaceutical and agrochemical research. It may also be evaluated as a fragrance component or fragrance precursor in perfumery and cosmetics. Additionally, it can be considered in industrial formulations and materials research as a platform for synthesizing oxazole-containing polymers or related specialty chemicals, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4986.62
    methanol 6870.32
    isopropanol 3075.28
    water 1.67
    ethyl acetate 2824.95
    n-propanol 3161.17
    acetone 3900.14
    n-butanol 2984.6
    acetonitrile 2302.78
    DMF 3942.14
    toluene 993.97
    isobutanol 2575.86
    1,4-dioxane 3136.87
    methyl acetate 1829.02
    THF 4385.36
    2-butanone 2308.4
    n-pentanol 1886.41
    sec-butanol 2427.55
    n-hexane 380.19
    ethylene glycol 636.54
    NMP 2454.24
    cyclohexane 565.16
    DMSO 3418.75
    n-butyl acetate 2437.77
    n-octanol 747.69
    chloroform 6001.96
    n-propyl acetate 1292.63
    acetic acid 3015.84
    dichloromethane 5641.59
    cyclohexanone 3458.59
    propylene glycol 903.3
    isopropyl acetate 1787.14
    DMAc 2271.57
    2-ethoxyethanol 1678.63
    isopentanol 2607.48
    n-heptane 175.65
    ethyl formate 1739.2
    1,2-dichloroethane 3113.69
    n-hexanol 2037.86
    2-methoxyethanol 3332.78
    isobutyl acetate 940.85
    tetrachloromethane 864.28
    n-pentyl acetate 1067.12
    transcutol 4333.75
    n-heptanol 696.09
    ethylbenzene 469.44
    MIBK 1379.63
    2-propoxyethanol 2447.3
    tert-butanol 2938.36
    MTBE 2903.88
    2-butoxyethanol 1082.58
    propionic acid 1694.13
    o-xylene 530.55
    formic acid 984.5
    diethyl ether 2795.83
    m-xylene 646.18
    p-xylene 661.35
    chlorobenzene 1531.39
    dimethyl carbonate 640.75
    n-octane 78.18
    formamide 1053.1
    cyclopentanone 3069.89
    2-pentanone 2364.89
    anisole 918.9
    cyclopentyl methyl ether 2057.72
    gamma-butyrolactone 3132.15
    1-methoxy-2-propanol 2288.56
    pyridine 2666.3
    3-pentanone 1359.24
    furfural 2241.09
    n-dodecane 73.26
    diethylene glycol 1436.23
    diisopropyl ether 745.59
    tert-amyl alcohol 2229.84
    acetylacetone 2156.08
    n-hexadecane 83.92
    acetophenone 795.41
    methyl propionate 1599.87
    isopentyl acetate 2028.87
    trichloroethylene 5235.02
    n-nonanol 612.76
    cyclohexanol 2118.71
    benzyl alcohol 908.5
    2-ethylhexanol 1004.86
    isooctanol 539.99
    dipropyl ether 1050.62
    1,2-dichlorobenzene 1154.86
    ethyl lactate 441.08
    propylene carbonate 1833.7
    n-methylformamide 1695.36
    2-pentanol 1802.75
    n-pentane 324.09
    1-propoxy-2-propanol 1653.0
    1-methoxy-2-propyl acetate 1513.9
    2-(2-methoxypropoxy) propanol 829.75
    mesitylene 391.44
    ε-caprolactone 2540.63
    p-cymene 309.03
    epichlorohydrin 3414.54
    1,1,1-trichloroethane 2723.58
    2-aminoethanol 1297.0
    morpholine-4-carbaldehyde 2267.38
    sulfolane 2799.02
    2,2,4-trimethylpentane 178.71
    2-methyltetrahydrofuran 3318.54
    n-hexyl acetate 1414.46
    isooctane 134.66
    2-(2-butoxyethoxy)ethanol 1238.71
    sec-butyl acetate 934.17
    tert-butyl acetate 1548.39
    decalin 215.07
    glycerin 906.97
    diglyme 1935.96
    acrylic acid 1300.72
    isopropyl myristate 451.28
    n-butyric acid 3515.54
    acetyl acetate 1351.22
    di(2-ethylhexyl) phthalate 456.12
    ethyl propionate 1002.44
    nitromethane 3042.04
    1,2-diethoxyethane 2014.01
    benzonitrile 1305.58
    trioctyl phosphate 318.06
    1-bromopropane 2297.24
    gamma-valerolactone 3517.52
    n-decanol 428.09
    triethyl phosphate 349.29
    4-methyl-2-pentanol 904.64
    propionitrile 1996.43
    vinylene carbonate 1647.44
    1,1,2-trichlorotrifluoroethane 1982.55
    DMS 883.86
    cumene 318.68
    2-octanol 510.25
    2-hexanone 1367.6
    octyl acetate 585.02
    limonene 583.12
    1,2-dimethoxyethane 2962.55
    ethyl orthosilicate 394.35
    tributyl phosphate 441.9
    diacetone alcohol 1299.31
    N,N-dimethylaniline 593.87
    acrylonitrile 1990.62
    aniline 1330.77
    1,3-propanediol 1904.33
    bromobenzene 1719.94
    dibromomethane 3687.78
    1,1,2,2-tetrachloroethane 3972.91
    2-methyl-cyclohexyl acetate 719.18
    tetrabutyl urea 515.05
    diisobutyl methanol 473.43
    2-phenylethanol 998.01
    styrene 700.42
    dioctyl adipate 599.69
    dimethyl sulfate 803.79
    ethyl butyrate 1073.29
    methyl lactate 655.07
    butyl lactate 694.58
    diethyl carbonate 629.7
    propanediol butyl ether 981.68
    triethyl orthoformate 673.61
    p-tert-butyltoluene 301.47
    methyl 4-tert-butylbenzoate 662.39
    morpholine 3834.21
    tert-butylamine 1975.62
    n-dodecanol 313.02
    dimethoxymethane 2217.09
    ethylene carbonate 1506.46
    cyrene 622.91
    2-ethoxyethyl acetate 1235.33
    2-ethylhexyl acetate 1384.37
    1,2,4-trichlorobenzene 1194.15
    4-methylpyridine 2852.44
    dibutyl ether 986.2
    2,6-dimethyl-4-heptanol 473.43
    DEF 2398.36
    dimethyl isosorbide 1238.19
    tetrachloroethylene 2731.19
    eugenol 678.34
    triacetin 848.53
    span 80 841.92
    1,4-butanediol 804.9
    1,1-dichloroethane 3577.55
    2-methyl-1-pentanol 1650.96
    methyl formate 1358.17
    2-methyl-1-butanol 2309.46
    n-decane 118.57
    butyronitrile 2749.17
    3,7-dimethyl-1-octanol 702.25
    1-chlorooctane 497.97
    1-chlorotetradecane 192.67
    n-nonane 117.23
    undecane 90.12
    tert-butylcyclohexane 212.15
    cyclooctane 132.71
    cyclopentanol 1913.75
    tetrahydropyran 3710.73
    tert-amyl methyl ether 1562.0
    2,5,8-trioxanonane 1244.74
    1-hexene 1298.07
    2-isopropoxyethanol 1179.25
    2,2,2-trifluoroethanol 684.02
    methyl butyrate 1624.58

    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