5-Butyl-1,3-oxazole

Overview IFRA Request a quote

  • Identifiers

    CAS number
    77311-06-9

    Molecular formula
    C7H11NO

    SMILES
    CCCCC1=CN=CO1

  • Odor profile

    Fragrance
    Green 61.68%
    Fatty 57.92%
    Roasted 51.69%
    Nutty 50.02%
    Vegetable 44.45%
    Earthy 42.3%
    Meaty 40.59%
    Sweet 34.88%
    Musty 34.74%
    Burnt 34.39%

     

    Flavor
    Green 71.7%
    Fruity 55.37%
    Fatty 53.75%
    Nutty 53.14%
    Earthy 52.37%
    Vegetable 48.94%
    Roasted 38.04%
    Sweet 36.32%
    Spicy 35.68%
    Mushroom 34.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.39 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    173°C

    Flash point

    • 61.24 ˚C est.

  • Synonyms

    • Oxazole, 5-butyl-
    • 5-BUTYL-1,3-OXAZOLE
    • 5-butyloxazole
    • 77311-06-9
    • 5-butyl oxazole
    • PM4P4YUF6L
    • SCHEMBL5373758
    • DTXSID10592385
    • CHEBI:193629
    • HVDQDMRCRULNJN-UHFFFAOYSA-N
    • EN300-7264637
    • Z2520746593

  • Applications

    5-Butyl-1,3-oxazole (CAS 77311-06-9) is used primarily as an intermediate in organic synthesis for specialty chemicals, serving as a building block for heterocyclic compounds that can be advanced into pharmaceutical and agrochemical APIs as well as polymer and materials chemistry applications; it may be explored as a precursor for functionalized oxazole derivatives in coatings and adhesives, and as a scaffold in fragrance research and cosmetic formulation development, with its use typically dependent on project needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 718.33
    methanol 806.58
    isopropanol 513.39
    water 1.79
    ethyl acetate 208.65
    n-propanol 529.91
    acetone 427.13
    n-butanol 473.37
    acetonitrile 282.66
    DMF 1190.48
    toluene 166.97
    isobutanol 417.55
    1,4-dioxane 424.06
    methyl acetate 232.9
    THF 560.14
    2-butanone 308.49
    n-pentanol 320.76
    sec-butanol 409.79
    n-hexane 32.61
    ethylene glycol 225.99
    NMP 612.09
    cyclohexane 78.69
    DMSO 1031.39
    n-butyl acetate 282.11
    n-octanol 173.11
    chloroform 1211.14
    n-propyl acetate 142.09
    acetic acid 619.64
    dichloromethane 1143.81
    cyclohexanone 538.48
    propylene glycol 323.6
    isopropyl acetate 129.76
    DMAc 591.04
    2-ethoxyethanol 298.69
    isopentanol 361.41
    n-heptane 44.98
    ethyl formate 239.89
    1,2-dichloroethane 502.41
    n-hexanol 386.5
    2-methoxyethanol 558.99
    isobutyl acetate 111.55
    tetrachloromethane 175.25
    n-pentyl acetate 150.15
    transcutol 755.01
    n-heptanol 161.62
    ethylbenzene 99.58
    MIBK 155.31
    2-propoxyethanol 442.32
    tert-butanol 514.42
    MTBE 237.39
    2-butoxyethanol 241.2
    propionic acid 414.73
    o-xylene 138.03
    formic acid 195.41
    diethyl ether 186.46
    m-xylene 131.59
    p-xylene 146.5
    chlorobenzene 308.93
    dimethyl carbonate 114.97
    n-octane 16.95
    formamide 223.97
    cyclopentanone 508.73
    2-pentanone 235.0
    anisole 205.51
    cyclopentyl methyl ether 234.73
    gamma-butyrolactone 506.51
    1-methoxy-2-propanol 425.86
    pyridine 492.0
    3-pentanone 166.14
    furfural 605.65
    n-dodecane 20.12
    diethylene glycol 338.44
    diisopropyl ether 62.01
    tert-amyl alcohol 380.75
    acetylacetone 244.59
    n-hexadecane 22.25
    acetophenone 212.41
    methyl propionate 202.74
    isopentyl acetate 237.0
    trichloroethylene 1002.95
    n-nonanol 140.77
    cyclohexanol 388.91
    benzyl alcohol 240.94
    2-ethylhexanol 214.71
    isooctanol 127.86
    dipropyl ether 158.9
    1,2-dichlorobenzene 293.82
    ethyl lactate 124.24
    propylene carbonate 361.8
    n-methylformamide 429.09
    2-pentanol 260.7
    n-pentane 40.93
    1-propoxy-2-propanol 343.91
    1-methoxy-2-propyl acetate 224.73
    2-(2-methoxypropoxy) propanol 250.16
    mesitylene 87.16
    ε-caprolactone 369.11
    p-cymene 96.51
    epichlorohydrin 548.03
    1,1,1-trichloroethane 483.72
    2-aminoethanol 413.21
    morpholine-4-carbaldehyde 535.56
    sulfolane 702.51
    2,2,4-trimethylpentane 33.27
    2-methyltetrahydrofuran 397.89
    n-hexyl acetate 223.48
    isooctane 24.27
    2-(2-butoxyethoxy)ethanol 311.85
    sec-butyl acetate 97.18
    tert-butyl acetate 153.93
    decalin 38.44
    glycerin 345.65
    diglyme 492.01
    acrylic acid 387.89
    isopropyl myristate 98.31
    n-butyric acid 509.31
    acetyl acetate 148.61
    di(2-ethylhexyl) phthalate 134.42
    ethyl propionate 123.75
    nitromethane 527.54
    1,2-diethoxyethane 210.99
    benzonitrile 351.46
    trioctyl phosphate 94.31
    1-bromopropane 327.5
    gamma-valerolactone 566.09
    n-decanol 107.67
    triethyl phosphate 97.21
    4-methyl-2-pentanol 141.62
    propionitrile 311.56
    vinylene carbonate 386.92
    1,1,2-trichlorotrifluoroethane 490.54
    DMS 168.14
    cumene 83.81
    2-octanol 111.77
    2-hexanone 179.33
    octyl acetate 131.64
    limonene 153.31
    1,2-dimethoxyethane 431.49
    ethyl orthosilicate 92.27
    tributyl phosphate 105.81
    diacetone alcohol 230.47
    N,N-dimethylaniline 170.61
    acrylonitrile 438.79
    aniline 281.18
    1,3-propanediol 415.56
    bromobenzene 329.74
    dibromomethane 740.29
    1,1,2,2-tetrachloroethane 788.75
    2-methyl-cyclohexyl acetate 157.69
    tetrabutyl urea 156.13
    diisobutyl methanol 116.21
    2-phenylethanol 243.19
    styrene 134.24
    dioctyl adipate 163.71
    dimethyl sulfate 214.38
    ethyl butyrate 172.15
    methyl lactate 176.5
    butyl lactate 159.77
    diethyl carbonate 134.5
    propanediol butyl ether 282.63
    triethyl orthoformate 130.86
    p-tert-butyltoluene 89.8
    methyl 4-tert-butylbenzoate 228.05
    morpholine 550.42
    tert-butylamine 343.44
    n-dodecanol 87.43
    dimethoxymethane 344.31
    ethylene carbonate 284.88
    cyrene 213.7
    2-ethoxyethyl acetate 184.58
    2-ethylhexyl acetate 178.76
    1,2,4-trichlorobenzene 336.31
    4-methylpyridine 464.51
    dibutyl ether 133.46
    2,6-dimethyl-4-heptanol 116.21
    DEF 341.15
    dimethyl isosorbide 317.12
    tetrachloroethylene 515.34
    eugenol 231.56
    triacetin 218.88
    span 80 265.43
    1,4-butanediol 210.75
    1,1-dichloroethane 541.95
    2-methyl-1-pentanol 268.15
    methyl formate 293.0
    2-methyl-1-butanol 357.66
    n-decane 26.94
    butyronitrile 370.8
    3,7-dimethyl-1-octanol 161.09
    1-chlorooctane 101.9
    1-chlorotetradecane 50.85
    n-nonane 25.63
    undecane 22.51
    tert-butylcyclohexane 37.42
    cyclooctane 22.15
    cyclopentanol 414.09
    tetrahydropyran 422.04
    tert-amyl methyl ether 169.97
    2,5,8-trioxanonane 382.19
    1-hexene 139.8
    2-isopropoxyethanol 209.23
    2,2,2-trifluoroethanol 151.47
    methyl butyrate 198.89

    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