2-Methyl-5-propyloxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    80935-99-5

    Molecular formula
    C7H11NO

    SMILES
    CCCC1=CN=C(O1)C

    Safety labels

  • Odor profile

    Fragrance
    Green 78.31%
    Nutty 57.87%
    Roasted 57.86%
    Vegetable 55.02%
    Fatty 50.71%
    Earthy 45.68%
    Meaty 42.62%
    Burnt 42.22%
    Fruity 38.06%
    Musty 37.67%

     

    Flavor
    Roasted 57.7%
    Burnt 44.5%
    Nutty 44.36%
    Earthy 40.82%
    Vegetable 37.37%
    Coffee 37.03%
    Green 33.43%
    Meaty 30.38%
    Roast 28.77%
    Potato 28.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.72 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 56.72 ˚C est.

  • Synonyms

    • 2-methyl-5-propyloxazole
    • 2-methyl-5-propyl-1,3-oxazole
    • Oxazole, 2-methyl-5-propyl
    • Oxazole, 2-methyl-5-propyl-
    • 80935-99-5
    • 5G7FC9K4R7
    • RefChem:88190
    • DDDRMAQEYHTVNK-UHFFFAOYSA-N
    • UNII-5G7FC9K4R7
    • SCHEMBL5535217
    • SCHEMBL5535219
    • SCHEMBL5543305
    • CHEBI:193625
    • DTXSID201313329
    • 80935-99-5

  • Applications

    2-Methyl-5-propyloxazole (CAS 80935-99-5) is an oxazole-type heterocycle primarily used as an organic synthesis intermediate. In pharmaceuticals, it serves as a building block for the preparation of oxazole-containing derivatives, supporting lead generation and medicinal chemistry exploration. In agrochemicals, it is explored as a precursor for bioactive oxazole-based compounds. In materials science and polymer chemistry, it can serve as a scaffold for synthesizing functionalized heterocycles used in specialty polymers and coatings. In research and development, it is used to generate compound libraries to explore catalysts and reaction methodologies. Its applications are context-dependent and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 830.9
    methanol 1306.99
    isopropanol 587.14
    water 11.46
    ethyl acetate 235.49
    n-propanol 635.61
    acetone 366.55
    n-butanol 570.4
    acetonitrile 383.57
    DMF 825.88
    toluene 270.49
    isobutanol 507.07
    1,4-dioxane 650.5
    methyl acetate 260.74
    THF 821.07
    2-butanone 295.93
    n-pentanol 441.61
    sec-butanol 512.56
    n-hexane 119.15
    ethylene glycol 309.79
    NMP 710.97
    cyclohexane 193.9
    DMSO 751.01
    n-butyl acetate 225.14
    n-octanol 273.58
    chloroform 1551.69
    n-propyl acetate 153.11
    acetic acid 644.78
    dichloromethane 1334.17
    cyclohexanone 542.24
    propylene glycol 368.5
    isopropyl acetate 149.55
    DMAc 653.62
    2-ethoxyethanol 395.69
    isopentanol 421.36
    n-heptane 87.3
    ethyl formate 243.64
    1,2-dichloroethane 498.78
    n-hexanol 479.68
    2-methoxyethanol 676.84
    isobutyl acetate 123.18
    tetrachloromethane 257.93
    n-pentyl acetate 179.9
    transcutol 720.46
    n-heptanol 211.12
    ethylbenzene 170.05
    MIBK 171.52
    2-propoxyethanol 511.75
    tert-butanol 558.81
    MTBE 333.33
    2-butoxyethanol 267.76
    propionic acid 426.06
    o-xylene 184.86
    formic acid 292.18
    diethyl ether 332.06
    m-xylene 176.14
    p-xylene 223.13
    chlorobenzene 408.26
    dimethyl carbonate 137.12
    n-octane 40.78
    formamide 256.24
    cyclopentanone 525.09
    2-pentanone 241.66
    anisole 268.23
    cyclopentyl methyl ether 371.1
    gamma-butyrolactone 579.16
    1-methoxy-2-propanol 495.98
    pyridine 548.33
    3-pentanone 212.64
    furfural 643.99
    n-dodecane 42.72
    diethylene glycol 408.35
    diisopropyl ether 102.35
    tert-amyl alcohol 464.5
    acetylacetone 242.43
    n-hexadecane 46.69
    acetophenone 237.83
    methyl propionate 234.17
    isopentyl acetate 198.99
    trichloroethylene 954.39
    n-nonanol 223.15
    cyclohexanol 481.09
    benzyl alcohol 295.97
    2-ethylhexanol 247.0
    isooctanol 162.48
    dipropyl ether 215.24
    1,2-dichlorobenzene 363.41
    ethyl lactate 133.86
    propylene carbonate 351.67
    n-methylformamide 390.49
    2-pentanol 328.93
    n-pentane 124.79
    1-propoxy-2-propanol 336.69
    1-methoxy-2-propyl acetate 206.69
    2-(2-methoxypropoxy) propanol 277.75
    mesitylene 114.11
    ε-caprolactone 436.33
    p-cymene 118.62
    epichlorohydrin 594.45
    1,1,1-trichloroethane 523.78
    2-aminoethanol 469.44
    morpholine-4-carbaldehyde 590.47
    sulfolane 742.21
    2,2,4-trimethylpentane 64.65
    2-methyltetrahydrofuran 532.4
    n-hexyl acetate 314.3
    isooctane 42.47
    2-(2-butoxyethoxy)ethanol 351.49
    sec-butyl acetate 111.23
    tert-butyl acetate 165.65
    decalin 81.5
    glycerin 414.18
    diglyme 508.45
    acrylic acid 379.28
    isopropyl myristate 138.98
    n-butyric acid 466.37
    acetyl acetate 178.16
    di(2-ethylhexyl) phthalate 170.66
    ethyl propionate 152.38
    nitromethane 517.98
    1,2-diethoxyethane 241.45
    benzonitrile 380.28
    trioctyl phosphate 116.36
    1-bromopropane 436.73
    gamma-valerolactone 602.26
    n-decanol 169.82
    triethyl phosphate 105.35
    4-methyl-2-pentanol 178.18
    propionitrile 394.79
    vinylene carbonate 411.0
    1,1,2-trichlorotrifluoroethane 500.27
    DMS 204.26
    cumene 134.85
    2-octanol 163.55
    2-hexanone 193.64
    octyl acetate 183.31
    limonene 181.11
    1,2-dimethoxyethane 570.8
    ethyl orthosilicate 103.31
    tributyl phosphate 132.45
    diacetone alcohol 223.71
    N,N-dimethylaniline 236.58
    acrylonitrile 435.2
    aniline 332.58
    1,3-propanediol 479.28
    bromobenzene 454.45
    dibromomethane 893.5
    1,1,2,2-tetrachloroethane 783.78
    2-methyl-cyclohexyl acetate 174.24
    tetrabutyl urea 187.54
    diisobutyl methanol 118.45
    2-phenylethanol 267.01
    styrene 217.17
    dioctyl adipate 198.68
    dimethyl sulfate 235.92
    ethyl butyrate 158.84
    methyl lactate 188.39
    butyl lactate 173.32
    diethyl carbonate 129.43
    propanediol butyl ether 316.53
    triethyl orthoformate 127.48
    p-tert-butyltoluene 114.16
    methyl 4-tert-butylbenzoate 265.1
    morpholine 677.21
    tert-butylamine 417.61
    n-dodecanol 136.26
    dimethoxymethane 431.68
    ethylene carbonate 308.08
    cyrene 245.83
    2-ethoxyethyl acetate 203.44
    2-ethylhexyl acetate 164.03
    1,2,4-trichlorobenzene 398.53
    4-methylpyridine 532.52
    dibutyl ether 218.35
    2,6-dimethyl-4-heptanol 118.45
    DEF 360.11
    dimethyl isosorbide 384.15
    tetrachloroethylene 543.14
    eugenol 262.06
    triacetin 265.11
    span 80 305.35
    1,4-butanediol 277.6
    1,1-dichloroethane 549.46
    2-methyl-1-pentanol 371.35
    methyl formate 297.29
    2-methyl-1-butanol 445.66
    n-decane 62.25
    butyronitrile 454.62
    3,7-dimethyl-1-octanol 231.17
    1-chlorooctane 178.0
    1-chlorotetradecane 88.33
    n-nonane 63.85
    undecane 49.56
    tert-butylcyclohexane 79.17
    cyclooctane 56.3
    cyclopentanol 546.84
    tetrahydropyran 621.69
    tert-amyl methyl ether 262.58
    2,5,8-trioxanonane 410.3
    1-hexene 279.45
    2-isopropoxyethanol 258.98
    2,2,2-trifluoroethanol 178.1
    methyl butyrate 218.57

    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