2-Pentyloxazole

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  • Identifiers

    CAS number
    77311-05-8

    Molecular formula
    C8H13NO

    SMILES
    CCCCCC1=NC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Green 86.73%
    Fatty 69.86%
    Vegetable 64.53%
    Nutty 48.37%
    Earthy 45.79%
    Herbal 43.83%
    Meaty 40.17%
    Roasted 37.38%
    Sweet 33.72%
    Musty 33.06%

     

    Flavor
    Green 82.99%
    Fatty 57.13%
    Vegetable 49.88%
    Earthy 47.97%
    Nutty 45.1%
    Fruity 44.74%
    Pepper 38.49%
    Mushroom 38.49%
    Metallic 36.59%
    Roasted 35.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.31 (neutral)

    Molecular weight
    139.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    180°C

    Flash point

    • 71.34 ˚C est.

  • Synonyms

    • 2-Pentyloxazole
    • 2-pentyl-1,3-oxazole
    • 77311-05-8
    • RefChem:88996
    • 2-amyloxazole
    • SCHEMBL859772
    • SCHEMBL5534837
    • SCHEMBL5983607
    • CHEBI:179652
    • DTXSID001317082
    • 77311-05-8

  • Applications

    2-Pentyloxazole (CAS 77311-05-8) is primarily used as a synthetic building block for oxazole-containing heterocycles in pharmaceutical and agrochemical research, enabling access to diverse compounds through standard organic synthesis routes. It commonly serves as an intermediate for preparing specialized ligands and scaffolds with potential biological activity. In materials science and coatings, it can function as a precursor or building block for functional polymers and for dye/pigment formulations used in coatings and inks. It is also employed as a research reagent in medicinal and polymer chemistry to explore new oxazole-based architectures and related materials. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3509.38
    methanol 5140.21
    isopropanol 1894.0
    water 1.25
    ethyl acetate 1852.49
    n-propanol 2113.43
    acetone 3244.76
    n-butanol 1834.04
    acetonitrile 1559.33
    DMF 3541.57
    toluene 590.62
    isobutanol 1515.77
    1,4-dioxane 2212.82
    methyl acetate 1241.03
    THF 3112.61
    2-butanone 1616.8
    n-pentanol 1046.0
    sec-butanol 1341.43
    n-hexane 128.21
    ethylene glycol 655.74
    NMP 1963.69
    cyclohexane 269.41
    DMSO 3870.59
    n-butyl acetate 1161.9
    n-octanol 310.54
    chloroform 3574.07
    n-propyl acetate 756.41
    acetic acid 2496.69
    dichloromethane 3546.55
    cyclohexanone 2296.37
    propylene glycol 810.42
    isopropyl acetate 1043.28
    DMAc 1783.76
    2-ethoxyethanol 1103.22
    isopentanol 1382.72
    n-heptane 69.0
    ethyl formate 1056.29
    1,2-dichloroethane 2217.45
    n-hexanol 1040.32
    2-methoxyethanol 2496.02
    isobutyl acetate 498.68
    tetrachloromethane 468.3
    n-pentyl acetate 514.69
    transcutol 3172.69
    n-heptanol 317.36
    ethylbenzene 223.48
    MIBK 786.83
    2-propoxyethanol 1448.31
    tert-butanol 1782.91
    MTBE 1425.19
    2-butoxyethanol 606.96
    propionic acid 1322.73
    o-xylene 298.9
    formic acid 891.07
    diethyl ether 1668.0
    m-xylene 355.63
    p-xylene 318.4
    chlorobenzene 980.83
    dimethyl carbonate 468.67
    n-octane 26.37
    formamide 1017.03
    cyclopentanone 2327.06
    2-pentanone 1530.33
    anisole 573.86
    cyclopentyl methyl ether 1353.41
    gamma-butyrolactone 2315.23
    1-methoxy-2-propanol 1658.37
    pyridine 2107.43
    3-pentanone 928.44
    furfural 1741.01
    n-dodecane 26.51
    diethylene glycol 1120.6
    diisopropyl ether 358.45
    tert-amyl alcohol 1176.67
    acetylacetone 1548.87
    n-hexadecane 30.66
    acetophenone 498.49
    methyl propionate 1198.25
    isopentyl acetate 911.99
    trichloroethylene 3713.72
    n-nonanol 264.46
    cyclohexanol 1279.57
    benzyl alcohol 624.91
    2-ethylhexanol 466.66
    isooctanol 251.56
    dipropyl ether 534.37
    1,2-dichlorobenzene 727.8
    ethyl lactate 285.68
    propylene carbonate 1173.01
    n-methylformamide 1468.74
    2-pentanol 946.04
    n-pentane 133.43
    1-propoxy-2-propanol 959.58
    1-methoxy-2-propyl acetate 875.3
    2-(2-methoxypropoxy) propanol 513.0
    mesitylene 210.88
    ε-caprolactone 1537.96
    p-cymene 152.54
    epichlorohydrin 2448.98
    1,1,1-trichloroethane 1754.38
    2-aminoethanol 1191.23
    morpholine-4-carbaldehyde 1709.23
    sulfolane 2299.43
    2,2,4-trimethylpentane 74.67
    2-methyltetrahydrofuran 2128.33
    n-hexyl acetate 701.13
    isooctane 54.88
    2-(2-butoxyethoxy)ethanol 778.85
    sec-butyl acetate 495.7
    tert-butyl acetate 874.85
    decalin 94.09
    glycerin 844.17
    diglyme 1298.58
    acrylic acid 1127.62
    isopropyl myristate 228.77
    n-butyric acid 2243.26
    acetyl acetate 966.36
    di(2-ethylhexyl) phthalate 254.78
    ethyl propionate 602.98
    nitromethane 2664.23
    1,2-diethoxyethane 1094.93
    benzonitrile 815.36
    trioctyl phosphate 165.28
    1-bromopropane 1299.94
    gamma-valerolactone 2464.24
    n-decanol 189.83
    triethyl phosphate 206.58
    4-methyl-2-pentanol 444.51
    propionitrile 1274.89
    vinylene carbonate 1063.7
    1,1,2-trichlorotrifluoroethane 1688.4
    DMS 555.62
    cumene 155.16
    2-octanol 212.22
    2-hexanone 737.35
    octyl acetate 290.32
    limonene 297.03
    1,2-dimethoxyethane 1757.21
    ethyl orthosilicate 216.19
    tributyl phosphate 231.64
    diacetone alcohol 818.37
    N,N-dimethylaniline 351.82
    acrylonitrile 1445.42
    aniline 1016.85
    1,3-propanediol 1403.85
    bromobenzene 1050.77
    dibromomethane 2264.07
    1,1,2,2-tetrachloroethane 2614.25
    2-methyl-cyclohexyl acetate 395.11
    tetrabutyl urea 288.05
    diisobutyl methanol 239.89
    2-phenylethanol 630.23
    styrene 375.32
    dioctyl adipate 341.97
    dimethyl sulfate 653.15
    ethyl butyrate 568.13
    methyl lactate 533.63
    butyl lactate 391.82
    diethyl carbonate 342.5
    propanediol butyl ether 606.13
    triethyl orthoformate 358.6
    p-tert-butyltoluene 148.59
    methyl 4-tert-butylbenzoate 394.43
    morpholine 2854.48
    tert-butylamine 1123.8
    n-dodecanol 142.51
    dimethoxymethane 1685.3
    ethylene carbonate 982.34
    cyrene 422.68
    2-ethoxyethyl acetate 722.27
    2-ethylhexyl acetate 626.28
    1,2,4-trichlorobenzene 805.78
    4-methylpyridine 1832.79
    dibutyl ether 462.48
    2,6-dimethyl-4-heptanol 239.89
    DEF 1594.64
    dimethyl isosorbide 788.41
    tetrachloroethylene 1874.45
    eugenol 410.78
    triacetin 537.56
    span 80 522.61
    1,4-butanediol 543.38
    1,1-dichloroethane 2231.95
    2-methyl-1-pentanol 838.96
    methyl formate 1043.0
    2-methyl-1-butanol 1231.73
    n-decane 41.43
    butyronitrile 1548.67
    3,7-dimethyl-1-octanol 325.97
    1-chlorooctane 212.05
    1-chlorotetradecane 81.88
    n-nonane 39.1
    undecane 32.08
    tert-butylcyclohexane 86.57
    cyclooctane 58.46
    cyclopentanol 1287.92
    tetrahydropyran 2426.66
    tert-amyl methyl ether 761.64
    2,5,8-trioxanonane 856.92
    1-hexene 538.01
    2-isopropoxyethanol 697.65
    2,2,2-trifluoroethanol 557.07
    methyl butyrate 910.99

    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