5-Methyl-2-propyloxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    53833-31-1

    Molecular formula
    C7H11NO

    SMILES
    CCCC1=NC=C(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 75.27%
    Roasted 58.28%
    Nutty 55.92%
    Fatty 53.61%
    Vegetable 51.02%
    Earthy 44.27%
    Meaty 41.07%
    Burnt 40.0%
    Fruity 39.52%
    Musty 35.74%

     

    Flavor
    Roasted 56.7%
    Green 44.71%
    Nutty 43.72%
    Earthy 43.37%
    Burnt 42.62%
    Vegetable 41.17%
    Coffee 35.28%
    Meaty 30.38%
    Potato 28.82%
    Roast 27.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.61 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point

    • 52.85 ˚C est.

  • Synonyms

    • 5-Methyl-2-propyloxazole
    • 5-methyl-2-propyl-1,3-oxazole
    • Oxazole, 5-methyl-2-propyl
    • 53833-31-1
    • 2-n-Propyl-5-methyloxazol
    • SCHEMBL5541549
    • SCHEMBL12128445
    • CHEBI:193626
    • NZRDFBNIWMSPHP-UHFFFAOYSA-N
    • DTXSID401313137
    • 53833-31-1

  • Applications

    5-Methyl-2-propyloxazole, CAS 53833-31-1, is primarily used as an intermediate in organic synthesis to build heterocyclic oxazole-containing compounds used in pharmaceutical and agrochemical research; in polymer and materials science, it may serve as a building block for functionalized oxazole derivatives used in coatings, inks, and other functional materials; in perfumery and cosmetics, it has potential as an odor-active ingredient or fragrance research candidate; it can also function as a precursor for specialty chemicals in household products and other industrial applications, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 991.4
    methanol 1429.22
    isopropanol 743.01
    water 9.73
    ethyl acetate 394.31
    n-propanol 773.49
    acetone 641.1
    n-butanol 735.82
    acetonitrile 591.02
    DMF 1090.03
    toluene 370.79
    isobutanol 657.77
    1,4-dioxane 876.92
    methyl acetate 417.87
    THF 1217.05
    2-butanone 500.7
    n-pentanol 606.58
    sec-butanol 701.19
    n-hexane 216.19
    ethylene glycol 319.74
    NMP 990.69
    cyclohexane 301.68
    DMSO 995.01
    n-butyl acetate 403.46
    n-octanol 466.87
    chloroform 2285.31
    n-propyl acetate 294.23
    acetic acid 950.33
    dichloromethane 1993.84
    cyclohexanone 856.94
    propylene glycol 423.28
    isopropyl acetate 262.74
    DMAc 862.15
    2-ethoxyethanol 515.92
    isopentanol 573.61
    n-heptane 159.06
    ethyl formate 387.84
    1,2-dichloroethane 768.8
    n-hexanol 714.38
    2-methoxyethanol 819.79
    isobutyl acetate 224.15
    tetrachloromethane 372.16
    n-pentyl acetate 314.8
    transcutol 1016.94
    n-heptanol 331.44
    ethylbenzene 272.69
    MIBK 289.67
    2-propoxyethanol 679.94
    tert-butanol 761.07
    MTBE 500.1
    2-butoxyethanol 387.25
    propionic acid 598.96
    o-xylene 267.99
    formic acid 306.14
    diethyl ether 484.35
    m-xylene 257.8
    p-xylene 370.88
    chlorobenzene 612.18
    dimethyl carbonate 221.16
    n-octane 76.8
    formamide 300.49
    cyclopentanone 865.6
    2-pentanone 414.34
    anisole 410.47
    cyclopentyl methyl ether 575.15
    gamma-butyrolactone 946.39
    1-methoxy-2-propanol 620.23
    pyridine 820.31
    3-pentanone 342.79
    furfural 941.76
    n-dodecane 80.89
    diethylene glycol 490.57
    diisopropyl ether 169.98
    tert-amyl alcohol 656.84
    acetylacetone 419.18
    n-hexadecane 87.84
    acetophenone 383.53
    methyl propionate 374.87
    isopentyl acetate 348.3
    trichloroethylene 1518.32
    n-nonanol 366.65
    cyclohexanol 672.67
    benzyl alcohol 417.38
    2-ethylhexanol 390.98
    isooctanol 257.1
    dipropyl ether 359.03
    1,2-dichlorobenzene 561.97
    ethyl lactate 206.85
    propylene carbonate 571.08
    n-methylformamide 504.91
    2-pentanol 478.64
    n-pentane 198.53
    1-propoxy-2-propanol 482.1
    1-methoxy-2-propyl acetate 320.46
    2-(2-methoxypropoxy) propanol 406.0
    mesitylene 177.14
    ε-caprolactone 690.66
    p-cymene 190.95
    epichlorohydrin 915.59
    1,1,1-trichloroethane 828.88
    2-aminoethanol 525.87
    morpholine-4-carbaldehyde 808.97
    sulfolane 1153.29
    2,2,4-trimethylpentane 106.32
    2-methyltetrahydrofuran 814.42
    n-hexyl acetate 552.97
    isooctane 75.32
    2-(2-butoxyethoxy)ethanol 513.64
    sec-butyl acetate 202.23
    tert-butyl acetate 277.5
    decalin 136.04
    glycerin 470.83
    diglyme 741.8
    acrylic acid 541.41
    isopropyl myristate 237.77
    n-butyric acid 664.79
    acetyl acetate 300.88
    di(2-ethylhexyl) phthalate 259.12
    ethyl propionate 281.81
    nitromethane 808.55
    1,2-diethoxyethane 385.39
    benzonitrile 608.31
    trioctyl phosphate 190.7
    1-bromopropane 683.62
    gamma-valerolactone 912.56
    n-decanol 274.83
    triethyl phosphate 169.27
    4-methyl-2-pentanol 260.78
    propionitrile 585.03
    vinylene carbonate 639.75
    1,1,2-trichlorotrifluoroethane 713.44
    DMS 340.67
    cumene 209.44
    2-octanol 271.8
    2-hexanone 357.89
    octyl acetate 314.18
    limonene 289.26
    1,2-dimethoxyethane 819.75
    ethyl orthosilicate 162.12
    tributyl phosphate 223.98
    diacetone alcohol 341.38
    N,N-dimethylaniline 356.03
    acrylonitrile 663.98
    aniline 445.23
    1,3-propanediol 551.06
    bromobenzene 708.03
    dibromomethane 1360.25
    1,1,2,2-tetrachloroethane 1228.22
    2-methyl-cyclohexyl acetate 285.64
    tetrabutyl urea 297.49
    diisobutyl methanol 182.63
    2-phenylethanol 394.31
    styrene 343.95
    dioctyl adipate 332.77
    dimethyl sulfate 364.53
    ethyl butyrate 288.74
    methyl lactate 262.72
    butyl lactate 282.92
    diethyl carbonate 222.24
    propanediol butyl ether 475.02
    triethyl orthoformate 212.1
    p-tert-butyltoluene 183.48
    methyl 4-tert-butylbenzoate 399.55
    morpholine 921.44
    tert-butylamine 597.96
    n-dodecanol 222.62
    dimethoxymethane 589.38
    ethylene carbonate 483.88
    cyrene 356.84
    2-ethoxyethyl acetate 336.86
    2-ethylhexyl acetate 282.95
    1,2,4-trichlorobenzene 624.48
    4-methylpyridine 800.91
    dibutyl ether 382.13
    2,6-dimethyl-4-heptanol 182.63
    DEF 554.93
    dimethyl isosorbide 551.55
    tetrachloroethylene 840.46
    eugenol 388.67
    triacetin 446.39
    span 80 447.34
    1,4-butanediol 330.82
    1,1-dichloroethane 874.14
    2-methyl-1-pentanol 537.56
    methyl formate 418.27
    2-methyl-1-butanol 613.22
    n-decane 116.33
    butyronitrile 671.09
    3,7-dimethyl-1-octanol 358.45
    1-chlorooctane 317.48
    1-chlorotetradecane 153.43
    n-nonane 119.44
    undecane 93.87
    tert-butylcyclohexane 134.56
    cyclooctane 93.81
    cyclopentanol 765.39
    tetrahydropyran 883.53
    tert-amyl methyl ether 398.74
    2,5,8-trioxanonane 588.34
    1-hexene 477.38
    2-isopropoxyethanol 356.05
    2,2,2-trifluoroethanol 249.58
    methyl butyrate 391.39

    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