5-Pentyl-1,3-oxazole

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  • Identifiers

    CAS number
    84027-84-9

    Molecular formula
    C8H13NO

    SMILES
    CCCCCC1=CN=CO1

    Safety labels

  • Odor profile

    Fragrance
    Green 75.37%
    Fatty 69.59%
    Vegetable 52.54%
    Nutty 48.49%
    Roasted 47.3%
    Earthy 45.25%
    Meaty 44.65%
    Musty 32.39%
    Metallic 32.2%
    Fruity 32.06%

     

    Flavor
    Green 74.6%
    Fatty 62.41%
    Fruity 51.49%
    Earthy 51.17%
    Nutty 49.54%
    Vegetable 49.14%
    Mushroom 41.9%
    Roasted 38.58%
    Oily 35.09%
    Pepper 34.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.71 (neutral)

    Molecular weight
    139.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point

    • 71.31 ˚C est.

  • Synonyms

    • 5-Pentyloxazole
    • 5-PENTYL-1,3-OXAZOLE
    • SCHEMBL460224
    • SCHEMBL5541640
    • DTXSID90735591
    • CHEBI:179645
    • 84027-84-9
    • 84027-84-9

  • Applications

    5-Pentyl-1,3-oxazole (CAS 84027-84-9) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetic formulations, with the potential to serve as a scent fixative that helps stabilize aroma notes in certain formulations; it is also employed as an organic synthesis intermediate, providing a building block for oxazole-containing derivatives used in specialty chemicals. In industrial manufacturing, it may be evaluated as a specialty additive or intermediate for selected formulations where aroma or functional heterocycle content is desirable, subject to regulatory and formulation constraints. In the polymers/plastics sector, it may be explored as a functional monomer or additive for materials where oxazole-based components are sought, again under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4016.48
    methanol 5560.1
    isopropanol 2231.53
    water 0.83
    ethyl acetate 2123.19
    n-propanol 2472.73
    acetone 3846.13
    n-butanol 2215.41
    acetonitrile 1793.25
    DMF 4095.06
    toluene 626.63
    isobutanol 1770.21
    1,4-dioxane 2097.82
    methyl acetate 1526.85
    THF 3013.64
    2-butanone 2088.36
    n-pentanol 1184.56
    sec-butanol 1604.25
    n-hexane 133.35
    ethylene glycol 696.85
    NMP 2083.32
    cyclohexane 229.24
    DMSO 4758.57
    n-butyl acetate 1486.26
    n-octanol 344.27
    chloroform 3767.61
    n-propyl acetate 985.74
    acetic acid 2586.31
    dichloromethane 4069.44
    cyclohexanone 2630.75
    propylene glycol 915.34
    isopropyl acetate 1123.67
    DMAc 1760.33
    2-ethoxyethanol 1221.14
    isopentanol 1609.51
    n-heptane 72.78
    ethyl formate 1213.05
    1,2-dichloroethane 2666.94
    n-hexanol 1233.31
    2-methoxyethanol 3010.2
    isobutyl acetate 577.66
    tetrachloromethane 531.0
    n-pentyl acetate 612.13
    transcutol 3869.04
    n-heptanol 366.0
    ethylbenzene 261.1
    MIBK 892.44
    2-propoxyethanol 1636.93
    tert-butanol 2025.71
    MTBE 1479.34
    2-butoxyethanol 684.04
    propionic acid 1533.73
    o-xylene 330.48
    formic acid 874.36
    diethyl ether 1721.81
    m-xylene 422.31
    p-xylene 357.34
    chlorobenzene 1068.04
    dimethyl carbonate 535.87
    n-octane 24.88
    formamide 1197.23
    cyclopentanone 2670.49
    2-pentanone 1926.43
    anisole 654.43
    cyclopentyl methyl ether 1490.39
    gamma-butyrolactone 2573.53
    1-methoxy-2-propanol 1956.04
    pyridine 2138.02
    3-pentanone 1044.82
    furfural 1980.51
    n-dodecane 22.87
    diethylene glycol 1175.81
    diisopropyl ether 377.94
    tert-amyl alcohol 1421.39
    acetylacetone 1702.2
    n-hexadecane 26.65
    acetophenone 584.27
    methyl propionate 1410.9
    isopentyl acetate 1141.14
    trichloroethylene 4621.8
    n-nonanol 285.23
    cyclohexanol 1467.24
    benzyl alcohol 671.91
    2-ethylhexanol 591.85
    isooctanol 282.75
    dipropyl ether 679.6
    1,2-dichlorobenzene 885.18
    ethyl lactate 329.42
    propylene carbonate 1304.33
    n-methylformamide 1965.45
    2-pentanol 1174.4
    n-pentane 131.38
    1-propoxy-2-propanol 1176.94
    1-methoxy-2-propyl acetate 1033.58
    2-(2-methoxypropoxy) propanol 576.09
    mesitylene 233.95
    ε-caprolactone 1752.29
    p-cymene 192.41
    epichlorohydrin 2886.58
    1,1,1-trichloroethane 2120.86
    2-aminoethanol 1383.91
    morpholine-4-carbaldehyde 1772.05
    sulfolane 2795.14
    2,2,4-trimethylpentane 77.33
    2-methyltetrahydrofuran 2340.14
    n-hexyl acetate 805.61
    isooctane 59.78
    2-(2-butoxyethoxy)ethanol 896.76
    sec-butyl acetate 579.13
    tert-butyl acetate 992.38
    decalin 96.43
    glycerin 896.77
    diglyme 1487.45
    acrylic acid 1303.81
    isopropyl myristate 245.3
    n-butyric acid 2550.28
    acetyl acetate 969.3
    di(2-ethylhexyl) phthalate 262.14
    ethyl propionate 742.05
    nitromethane 3132.73
    1,2-diethoxyethane 1248.18
    benzonitrile 923.09
    trioctyl phosphate 180.02
    1-bromopropane 1478.22
    gamma-valerolactone 2754.82
    n-decanol 204.59
    triethyl phosphate 229.26
    4-methyl-2-pentanol 508.3
    propionitrile 1459.36
    vinylene carbonate 1204.06
    1,1,2-trichlorotrifluoroethane 2006.12
    DMS 605.57
    cumene 181.67
    2-octanol 240.79
    2-hexanone 955.77
    octyl acetate 325.01
    limonene 356.65
    1,2-dimethoxyethane 1834.03
    ethyl orthosilicate 240.97
    tributyl phosphate 254.97
    diacetone alcohol 968.0
    N,N-dimethylaniline 386.56
    acrylonitrile 1792.82
    aniline 1080.4
    1,3-propanediol 1669.75
    bromobenzene 1191.74
    dibromomethane 2536.44
    1,1,2,2-tetrachloroethane 3122.13
    2-methyl-cyclohexyl acetate 440.59
    tetrabutyl urea 319.11
    diisobutyl methanol 287.18
    2-phenylethanol 702.59
    styrene 412.24
    dioctyl adipate 362.46
    dimethyl sulfate 752.93
    ethyl butyrate 707.71
    methyl lactate 615.74
    butyl lactate 458.52
    diethyl carbonate 401.65
    propanediol butyl ether 719.56
    triethyl orthoformate 407.85
    p-tert-butyltoluene 177.9
    methyl 4-tert-butylbenzoate 434.61
    morpholine 2958.78
    tert-butylamine 1266.37
    n-dodecanol 148.73
    dimethoxymethane 1888.7
    ethylene carbonate 1047.53
    cyrene 459.34
    2-ethoxyethyl acetate 838.64
    2-ethylhexyl acetate 780.09
    1,2,4-trichlorobenzene 982.33
    4-methylpyridine 2010.48
    dibutyl ether 510.57
    2,6-dimethyl-4-heptanol 287.18
    DEF 1918.94
    dimethyl isosorbide 858.0
    tetrachloroethylene 2135.99
    eugenol 468.63
    triacetin 590.83
    span 80 557.69
    1,4-butanediol 577.9
    1,1-dichloroethane 2607.84
    2-methyl-1-pentanol 961.18
    methyl formate 1325.39
    2-methyl-1-butanol 1484.08
    n-decane 37.4
    butyronitrile 1864.25
    3,7-dimethyl-1-octanol 389.43
    1-chlorooctane 225.4
    1-chlorotetradecane 83.15
    n-nonane 35.62
    undecane 28.33
    tert-butylcyclohexane 90.31
    cyclooctane 55.57
    cyclopentanol 1440.71
    tetrahydropyran 2495.18
    tert-amyl methyl ether 838.96
    2,5,8-trioxanonane 925.76
    1-hexene 643.79
    2-isopropoxyethanol 787.04
    2,2,2-trifluoroethanol 588.51
    methyl butyrate 1128.79

    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