4-Methyl-2-pentyl-5-propyloxazole

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  • Identifiers

    CAS number
    84028-17-1

    Molecular formula
    C12H21NO

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

    Safety labels

  • Odor profile

    Fragrance
    Green 65.03%
    Fatty 51.92%
    Vegetable 45.48%
    Fruity 44.8%
    Roasted 43.8%
    Earthy 43.8%
    Nutty 43.26%
    Herbal 35.94%
    Burnt 33.67%
    Meaty 32.61%

     

    Flavor
    Green 58.98%
    Earthy 48.36%
    Roasted 43.37%
    Pepper 37.51%
    Vegetable 36.34%
    Burnt 35.71%
    Fatty 35.33%
    Herbal 34.13%
    Nutty 33.97%
    Mushroom 28.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.53 (neutral)

    Molecular weight
    195.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point

    • 108.0 ˚C est.

  • Synonyms

    • 4-Methyl-2-pentyl-5-propyloxazole
    • 84028-17-1
    • RefChem:294237
    • 4-methyl-2-pentyl-5-propyl-1,3-oxazole
    • CHEBI:192339
    • DTXSID001298915
    • 84028-17-1

  • Applications

    4-Methyl-2-pentyl-5-propyloxazole is used primarily as an odorant and fragrance ingredient in perfumery and cosmetics and personal care; it may also serve as a synthetic intermediate in the preparation of other fragrance compounds; in household products and consumer goods, it can function as a fragrance additive; and in industrial manufacturing it may be employed as a specialty chemical for coatings and inks where a scent contribution is desired. CAS 84028-17-1.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11618.97
    methanol 12753.01
    isopropanol 9437.92
    water 1.15
    ethyl acetate 10858.27
    n-propanol 10008.93
    acetone 14047.04
    n-butanol 9789.17
    acetonitrile 8908.92
    DMF 13773.09
    toluene 5808.15
    isobutanol 9208.91
    1,4-dioxane 11664.53
    methyl acetate 7127.98
    THF 15825.96
    2-butanone 9965.5
    n-pentanol 6202.15
    sec-butanol 8644.32
    n-hexane 2604.79
    ethylene glycol 862.68
    NMP 8510.38
    cyclohexane 4083.87
    DMSO 8433.74
    n-butyl acetate 10783.04
    n-octanol 3138.04
    chloroform 24214.81
    n-propyl acetate 6189.68
    acetic acid 6861.04
    dichloromethane 24369.95
    cyclohexanone 15843.94
    propylene glycol 1585.39
    isopropyl acetate 7875.85
    DMAc 8042.26
    2-ethoxyethanol 5182.54
    isopentanol 9061.31
    n-heptane 1024.95
    ethyl formate 6477.52
    1,2-dichloroethane 14651.97
    n-hexanol 7464.34
    2-methoxyethanol 8736.65
    isobutyl acetate 4401.45
    tetrachloromethane 4067.02
    n-pentyl acetate 5126.84
    transcutol 11414.11
    n-heptanol 2647.8
    ethylbenzene 2833.1
    MIBK 6022.4
    2-propoxyethanol 7845.92
    tert-butanol 8389.41
    MTBE 11908.91
    2-butoxyethanol 3660.35
    propionic acid 4858.59
    o-xylene 2564.29
    formic acid 1483.37
    diethyl ether 12747.57
    m-xylene 3087.96
    p-xylene 3837.41
    chlorobenzene 7748.74
    dimethyl carbonate 2390.58
    n-octane 532.89
    formamide 2080.45
    cyclopentanone 12242.24
    2-pentanone 10239.56
    anisole 4117.3
    cyclopentyl methyl ether 8773.19
    gamma-butyrolactone 11295.06
    1-methoxy-2-propanol 6581.66
    pyridine 12290.28
    3-pentanone 6322.25
    furfural 7573.94
    n-dodecane 375.88
    diethylene glycol 3030.37
    diisopropyl ether 3641.89
    tert-amyl alcohol 7548.3
    acetylacetone 8138.33
    n-hexadecane 446.07
    acetophenone 3522.59
    methyl propionate 6484.38
    isopentyl acetate 9160.96
    trichloroethylene 22324.21
    n-nonanol 2547.08
    cyclohexanol 8481.03
    benzyl alcohol 3465.32
    2-ethylhexanol 4006.7
    isooctanol 2177.75
    dipropyl ether 4864.0
    1,2-dichlorobenzene 5228.25
    ethyl lactate 1440.4
    propylene carbonate 6826.08
    n-methylformamide 5368.68
    2-pentanol 6695.8
    n-pentane 1959.9
    1-propoxy-2-propanol 5390.96
    1-methoxy-2-propyl acetate 5455.4
    2-(2-methoxypropoxy) propanol 2333.8
    mesitylene 1821.24
    ε-caprolactone 11403.58
    p-cymene 1408.47
    epichlorohydrin 13558.09
    1,1,1-trichloroethane 12610.41
    2-aminoethanol 2507.66
    morpholine-4-carbaldehyde 7609.41
    sulfolane 8846.46
    2,2,4-trimethylpentane 819.91
    2-methyltetrahydrofuran 13741.97
    n-hexyl acetate 6472.8
    isooctane 668.14
    2-(2-butoxyethoxy)ethanol 3509.41
    sec-butyl acetate 4318.4
    tert-butyl acetate 6145.8
    decalin 1255.08
    glycerin 1529.87
    diglyme 6336.2
    acrylic acid 3278.3
    isopropyl myristate 1968.19
    n-butyric acid 10971.9
    acetyl acetate 5144.57
    di(2-ethylhexyl) phthalate 1495.21
    ethyl propionate 4696.34
    nitromethane 8698.58
    1,2-diethoxyethane 7730.24
    benzonitrile 5702.4
    trioctyl phosphate 1188.12
    1-bromopropane 11914.0
    gamma-valerolactone 13427.04
    n-decanol 1699.18
    triethyl phosphate 1322.71
    4-methyl-2-pentanol 3421.33
    propionitrile 8642.74
    vinylene carbonate 5902.75
    1,1,2-trichlorotrifluoroethane 5889.01
    DMS 3521.03
    cumene 1660.66
    2-octanol 2326.34
    2-hexanone 6391.71
    octyl acetate 2556.81
    limonene 2608.25
    1,2-dimethoxyethane 11892.82
    ethyl orthosilicate 1519.65
    tributyl phosphate 1658.08
    diacetone alcohol 4157.62
    N,N-dimethylaniline 2713.92
    acrylonitrile 7720.75
    aniline 5283.26
    1,3-propanediol 4536.01
    bromobenzene 9208.38
    dibromomethane 16968.28
    1,1,2,2-tetrachloroethane 16915.71
    2-methyl-cyclohexyl acetate 2837.34
    tetrabutyl urea 2078.88
    diisobutyl methanol 1805.71
    2-phenylethanol 3634.4
    styrene 4115.31
    dioctyl adipate 2267.73
    dimethyl sulfate 2599.95
    ethyl butyrate 4833.02
    methyl lactate 1812.84
    butyl lactate 2651.99
    diethyl carbonate 2668.47
    propanediol butyl ether 2815.64
    triethyl orthoformate 2668.93
    p-tert-butyltoluene 1293.71
    methyl 4-tert-butylbenzoate 2424.46
    morpholine 14128.17
    tert-butylamine 6410.25
    n-dodecanol 1216.06
    dimethoxymethane 8200.61
    ethylene carbonate 5862.88
    cyrene 1763.65
    2-ethoxyethyl acetate 4905.46
    2-ethylhexyl acetate 6559.8
    1,2,4-trichlorobenzene 5094.61
    4-methylpyridine 14315.2
    dibutyl ether 5107.38
    2,6-dimethyl-4-heptanol 1805.71
    DEF 10381.48
    dimethyl isosorbide 3704.23
    tetrachloroethylene 11134.51
    eugenol 2355.05
    triacetin 2936.6
    span 80 2510.36
    1,4-butanediol 1966.96
    1,1-dichloroethane 16013.71
    2-methyl-1-pentanol 6167.0
    methyl formate 4286.69
    2-methyl-1-butanol 8571.56
    n-decane 702.2
    butyronitrile 12602.92
    3,7-dimethyl-1-octanol 2905.42
    1-chlorooctane 2691.2
    1-chlorotetradecane 886.31
    n-nonane 742.51
    undecane 481.07
    tert-butylcyclohexane 1073.12
    cyclooctane 993.48
    cyclopentanol 6993.2
    tetrahydropyran 17392.22
    tert-amyl methyl ether 6516.84
    2,5,8-trioxanonane 3613.03
    1-hexene 7500.2
    2-isopropoxyethanol 3787.33
    2,2,2-trifluoroethanol 1497.27
    methyl butyrate 7834.66

    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