4,5-Dimethyl-2-pentyloxazole

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  • Identifiers

    CAS number
    84028-05-7

    Molecular formula
    C10H17NO

    SMILES
    CCCCCC1=NC(=C(O1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 64.45%
    Fatty 57.88%
    Roasted 52.82%
    Vegetable 49.43%
    Nutty 48.62%
    Earthy 46.07%
    Meaty 40.61%
    Burnt 38.73%
    Herbal 35.86%
    Musty 34.17%

     

    Flavor
    Roasted 50.84%
    Green 50.42%
    Earthy 49.78%
    Burnt 42.85%
    Nutty 38.55%
    Vegetable 37.98%
    Pepper 34.51%
    Meaty 31.55%
    Musty 31.05%
    Earth 29.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.7 (neutral)

    Molecular weight
    167.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    231°C

    Flash point

    • 83.18 ˚C est.

  • Synonyms

    • 4,5-Dimethyl-2-pentyloxazole
    • 4,5-dimethyl-2-pentyl-1,3-oxazole
    • 2-pentyl-4,5-dimethyloxazole
    • 2-Pentyl-4,5-dimethyloxazol
    • CHEBI:195847
    • HLNGYNXFRKTMHQ-UHFFFAOYSA-N
    • DTXSID901308993
    • 84028-05-7
    • 84028-05-7

  • Applications

    4,5-Dimethyl-2-pentyloxazole, CAS 84028-05-7, is a specialty chemical commonly used as a synthetic intermediate and, in some formulations, as a fragrance-related component. In cosmetics and personal care, it may function as a fragrance ingredient or as a building block for other oxazole derivatives. In household products and cleaners, it can contribute fragrance notes or act as an odorant component in formulations. In industrial manufacturing, it serves as an intermediate for the synthesis of heterocyclic oxazole compounds or as a solvent/ formulation component in specialized blends. In coatings and inks, it may be evaluated as a fragrance additive or precursor to oxazole-based materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4279.03
    methanol 5384.72
    isopropanol 3033.76
    water 2.59
    ethyl acetate 2852.1
    n-propanol 3141.23
    acetone 3274.42
    n-butanol 3149.47
    acetonitrile 2426.32
    DMF 3941.25
    toluene 1713.5
    isobutanol 2776.83
    1,4-dioxane 4471.9
    methyl acetate 2170.09
    THF 5344.48
    2-butanone 2516.66
    n-pentanol 2140.48
    sec-butanol 2760.15
    n-hexane 766.17
    ethylene glycol 524.54
    NMP 2878.58
    cyclohexane 1028.76
    DMSO 2819.15
    n-butyl acetate 2737.98
    n-octanol 1023.88
    chloroform 8232.11
    n-propyl acetate 1599.71
    acetic acid 2524.68
    dichloromethane 7550.01
    cyclohexanone 4049.92
    propylene glycol 860.34
    isopropyl acetate 2014.45
    DMAc 2872.48
    2-ethoxyethanol 2058.13
    isopentanol 3033.73
    n-heptane 289.12
    ethyl formate 1785.53
    1,2-dichloroethane 3721.72
    n-hexanol 2318.88
    2-methoxyethanol 3263.93
    isobutyl acetate 1247.6
    tetrachloromethane 1415.86
    n-pentyl acetate 1401.06
    transcutol 4696.4
    n-heptanol 917.4
    ethylbenzene 871.69
    MIBK 1621.98
    2-propoxyethanol 2675.43
    tert-butanol 3222.0
    MTBE 3942.84
    2-butoxyethanol 1312.24
    propionic acid 1734.52
    o-xylene 897.6
    formic acid 815.37
    diethyl ether 3552.03
    m-xylene 1022.28
    p-xylene 1276.77
    chlorobenzene 2275.67
    dimethyl carbonate 746.17
    n-octane 152.11
    formamide 964.87
    cyclopentanone 3534.24
    2-pentanone 2381.92
    anisole 1429.8
    cyclopentyl methyl ether 2677.86
    gamma-butyrolactone 3451.4
    1-methoxy-2-propanol 2313.45
    pyridine 3490.51
    3-pentanone 1668.52
    furfural 2672.92
    n-dodecane 128.82
    diethylene glycol 1430.12
    diisopropyl ether 1054.23
    tert-amyl alcohol 2812.83
    acetylacetone 2267.76
    n-hexadecane 145.67
    acetophenone 1147.2
    methyl propionate 1776.91
    isopentyl acetate 2515.64
    trichloroethylene 6355.7
    n-nonanol 849.78
    cyclohexanol 2686.34
    benzyl alcohol 1244.41
    2-ethylhexanol 1291.76
    isooctanol 757.03
    dipropyl ether 1362.24
    1,2-dichlorobenzene 1711.52
    ethyl lactate 540.26
    propylene carbonate 2187.61
    n-methylformamide 1601.99
    2-pentanol 2069.99
    n-pentane 551.52
    1-propoxy-2-propanol 1807.77
    1-methoxy-2-propyl acetate 1803.46
    2-(2-methoxypropoxy) propanol 1051.11
    mesitylene 615.79
    ε-caprolactone 3257.15
    p-cymene 465.07
    epichlorohydrin 4194.97
    1,1,1-trichloroethane 3842.58
    2-aminoethanol 1209.37
    morpholine-4-carbaldehyde 2868.92
    sulfolane 3165.99
    2,2,4-trimethylpentane 322.73
    2-methyltetrahydrofuran 4292.02
    n-hexyl acetate 1901.09
    isooctane 223.69
    2-(2-butoxyethoxy)ethanol 1516.74
    sec-butyl acetate 1249.45
    tert-butyl acetate 1889.41
    decalin 397.9
    glycerin 819.11
    diglyme 2462.0
    acrylic acid 1287.5
    isopropyl myristate 651.49
    n-butyric acid 3233.38
    acetyl acetate 1579.9
    di(2-ethylhexyl) phthalate 622.9
    ethyl propionate 1291.56
    nitromethane 2825.66
    1,2-diethoxyethane 2472.05
    benzonitrile 1816.55
    trioctyl phosphate 434.61
    1-bromopropane 3067.57
    gamma-valerolactone 4069.81
    n-decanol 600.67
    triethyl phosphate 495.79
    4-methyl-2-pentanol 1194.16
    propionitrile 2331.15
    vinylene carbonate 1908.13
    1,1,2-trichlorotrifluoroethane 2164.14
    DMS 1203.31
    cumene 576.46
    2-octanol 753.3
    2-hexanone 1779.41
    octyl acetate 835.41
    limonene 816.69
    1,2-dimethoxyethane 3769.18
    ethyl orthosilicate 559.44
    tributyl phosphate 616.09
    diacetone alcohol 1467.19
    N,N-dimethylaniline 956.91
    acrylonitrile 2122.51
    aniline 1802.44
    1,3-propanediol 1824.33
    bromobenzene 2619.97
    dibromomethane 5013.02
    1,1,2,2-tetrachloroethane 5184.22
    2-methyl-cyclohexyl acetate 971.14
    tetrabutyl urea 694.89
    diisobutyl methanol 600.97
    2-phenylethanol 1281.15
    styrene 1169.68
    dioctyl adipate 820.86
    dimethyl sulfate 961.11
    ethyl butyrate 1357.62
    methyl lactate 668.63
    butyl lactate 865.05
    diethyl carbonate 842.3
    propanediol butyl ether 1096.33
    triethyl orthoformate 910.62
    p-tert-butyltoluene 465.35
    methyl 4-tert-butylbenzoate 930.88
    morpholine 4790.79
    tert-butylamine 2483.87
    n-dodecanol 451.98
    dimethoxymethane 2375.3
    ethylene carbonate 1810.23
    cyrene 781.0
    2-ethoxyethyl acetate 1561.74
    2-ethylhexyl acetate 1878.04
    1,2,4-trichlorobenzene 1783.74
    4-methylpyridine 3767.2
    dibutyl ether 1458.7
    2,6-dimethyl-4-heptanol 600.97
    DEF 2726.9
    dimethyl isosorbide 1587.85
    tetrachloroethylene 3623.63
    eugenol 944.69
    triacetin 1117.9
    span 80 1040.32
    1,4-butanediol 862.32
    1,1-dichloroethane 4430.63
    2-methyl-1-pentanol 2208.84
    methyl formate 1295.08
    2-methyl-1-butanol 2829.54
    n-decane 214.7
    butyronitrile 3095.27
    3,7-dimethyl-1-octanol 985.63
    1-chlorooctane 797.97
    1-chlorotetradecane 300.24
    n-nonane 222.19
    undecane 157.74
    tert-butylcyclohexane 378.72
    cyclooctane 267.11
    cyclopentanol 2376.96
    tetrahydropyran 4805.42
    tert-amyl methyl ether 2317.58
    2,5,8-trioxanonane 1540.04
    1-hexene 2029.83
    2-isopropoxyethanol 1513.94
    2,2,2-trifluoroethanol 720.13
    methyl butyrate 1997.23

    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