4-Ethyl-2,5-dimethyl-2,5-dihydro-1,3-oxazole

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  • Identifiers

    CAS number
    60633-23-0

    Molecular formula
    C7H13NO

    SMILES
    CCC1=NC(OC1C)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 76.81%
    Green 66.15%
    Vegetable 62.96%
    Roasted 55.22%
    Cocoa 53.8%
    Musty 49.35%
    Earthy 49.09%
    Woody 46.76%
    Meaty 45.14%
    Chocolate 42.95%

     

    Flavor
    Green 65.46%
    Nutty 51.23%
    Vegetable 36.96%
    Musty 36.5%
    Earthy 35.9%
    Roasted 34.91%
    Caramel 34.75%
    Potato 31.61%
    Raw 30.13%
    Tropical 26.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.03 (weak base)

    Molecular weight
    127.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    147°C

    Flash point

    • 56.3 ˚C est.

  • Synonyms

    • 60633-23-0
    • 4-Ethyl-2,5-dimethyl-2,5-dihydro-1,3-oxazole
    • SCHEMBL11330702
    • DTXSID20634427
    • 60633-23-0

  • Applications

    4-Ethyl-2,5-dimethyl-2,5-dihydro-1,3-oxazole (CAS 60633-23-0) is typically used as an intermediate and scaffold for the synthesis of pharmaceuticals and agrochemicals, and is routinely evaluated as a building block for medicinal chemistry libraries. In pharmaceutical development, it may serve as a precursor or linking framework to optimize physicochemical properties of downstream derivatives; in agrochemical development, oxazole/dihydro-oxazole-type scaffolds are studied as precursors for bioactive leads to control pests. In perfumery and cosmetics, this heterocyclic structure can be considered as a fragrance component or fixative contributing to aroma profiles in formulations. Additionally, it can function as a synthetic intermediate for specialty polymers or coating formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1281.47
    methanol 2250.15
    isopropanol 907.56
    water 43.57
    ethyl acetate 756.32
    n-propanol 1116.46
    acetone 954.94
    n-butanol 1039.71
    acetonitrile 1178.06
    DMF 1326.78
    toluene 682.18
    isobutanol 908.15
    1,4-dioxane 1195.13
    methyl acetate 776.49
    THF 1722.95
    2-butanone 865.28
    n-pentanol 662.38
    sec-butanol 968.6
    n-hexane 235.25
    ethylene glycol 539.08
    NMP 1477.89
    cyclohexane 292.98
    DMSO 1348.94
    n-butyl acetate 500.41
    n-octanol 424.27
    chloroform 3928.33
    n-propyl acetate 403.07
    acetic acid 1225.41
    dichloromethane 3858.23
    cyclohexanone 1289.96
    propylene glycol 542.66
    isopropyl acetate 526.34
    DMAc 1113.65
    2-ethoxyethanol 914.88
    isopentanol 827.97
    n-heptane 134.8
    ethyl formate 590.96
    1,2-dichloroethane 1640.25
    n-hexanol 670.46
    2-methoxyethanol 1551.83
    isobutyl acetate 308.72
    tetrachloromethane 918.5
    n-pentyl acetate 432.12
    transcutol 1675.52
    n-heptanol 353.61
    ethylbenzene 336.0
    MIBK 482.47
    2-propoxyethanol 995.08
    tert-butanol 841.69
    MTBE 838.81
    2-butoxyethanol 592.51
    propionic acid 885.79
    o-xylene 450.03
    formic acid 780.92
    diethyl ether 928.63
    m-xylene 459.01
    p-xylene 434.08
    chlorobenzene 1056.85
    dimethyl carbonate 324.67
    n-octane 64.13
    formamide 660.98
    cyclopentanone 1441.04
    2-pentanone 707.48
    anisole 632.26
    cyclopentyl methyl ether 965.52
    gamma-butyrolactone 1556.72
    1-methoxy-2-propanol 1055.2
    pyridine 1306.92
    3-pentanone 636.12
    furfural 1558.93
    n-dodecane 55.64
    diethylene glycol 786.02
    diisopropyl ether 312.68
    tert-amyl alcohol 877.12
    acetylacetone 807.72
    n-hexadecane 61.07
    acetophenone 552.05
    methyl propionate 649.42
    isopentyl acetate 486.07
    trichloroethylene 2762.85
    n-nonanol 349.3
    cyclohexanol 887.93
    benzyl alcohol 583.39
    2-ethylhexanol 389.63
    isooctanol 290.77
    dipropyl ether 418.46
    1,2-dichlorobenzene 949.64
    ethyl lactate 288.9
    propylene carbonate 791.79
    n-methylformamide 905.22
    2-pentanol 669.56
    n-pentane 241.39
    1-propoxy-2-propanol 623.1
    1-methoxy-2-propyl acetate 534.03
    2-(2-methoxypropoxy) propanol 468.4
    mesitylene 310.14
    ε-caprolactone 1089.5
    p-cymene 242.55
    epichlorohydrin 1762.98
    1,1,1-trichloroethane 1634.22
    2-aminoethanol 863.03
    morpholine-4-carbaldehyde 1305.74
    sulfolane 1676.54
    2,2,4-trimethylpentane 148.22
    2-methyltetrahydrofuran 1462.84
    n-hexyl acetate 669.27
    isooctane 91.55
    2-(2-butoxyethoxy)ethanol 629.93
    sec-butyl acetate 327.31
    tert-butyl acetate 552.36
    decalin 158.6
    glycerin 771.33
    diglyme 1089.02
    acrylic acid 839.01
    isopropyl myristate 243.11
    n-butyric acid 987.17
    acetyl acetate 589.88
    di(2-ethylhexyl) phthalate 259.03
    ethyl propionate 414.79
    nitromethane 1448.7
    1,2-diethoxyethane 550.37
    benzonitrile 890.67
    trioctyl phosphate 178.45
    1-bromopropane 1169.16
    gamma-valerolactone 1543.03
    n-decanol 240.56
    triethyl phosphate 218.01
    4-methyl-2-pentanol 377.28
    propionitrile 963.76
    vinylene carbonate 811.81
    1,1,2-trichlorotrifluoroethane 1306.71
    DMS 453.2
    cumene 280.92
    2-octanol 273.09
    2-hexanone 448.57
    octyl acetate 309.72
    limonene 352.33
    1,2-dimethoxyethane 1107.25
    ethyl orthosilicate 216.3
    tributyl phosphate 213.09
    diacetone alcohol 556.52
    N,N-dimethylaniline 466.86
    acrylonitrile 1164.95
    aniline 780.14
    1,3-propanediol 966.97
    bromobenzene 1164.27
    dibromomethane 2658.83
    1,1,2,2-tetrachloroethane 2229.49
    2-methyl-cyclohexyl acetate 330.39
    tetrabutyl urea 266.19
    diisobutyl methanol 216.52
    2-phenylethanol 540.82
    styrene 430.3
    dioctyl adipate 316.76
    dimethyl sulfate 550.09
    ethyl butyrate 383.86
    methyl lactate 427.7
    butyl lactate 325.47
    diethyl carbonate 275.04
    propanediol butyl ether 518.23
    triethyl orthoformate 283.77
    p-tert-butyltoluene 236.84
    methyl 4-tert-butylbenzoate 485.09
    morpholine 1338.13
    tert-butylamine 646.45
    n-dodecanol 175.61
    dimethoxymethane 878.39
    ethylene carbonate 648.67
    cyrene 440.79
    2-ethoxyethyl acetate 504.27
    2-ethylhexyl acetate 395.4
    1,2,4-trichlorobenzene 1107.7
    4-methylpyridine 1290.51
    dibutyl ether 426.46
    2,6-dimethyl-4-heptanol 216.52
    DEF 859.19
    dimethyl isosorbide 684.97
    tetrachloroethylene 1604.1
    eugenol 497.05
    triacetin 494.13
    span 80 417.45
    1,4-butanediol 454.1
    1,1-dichloroethane 1695.16
    2-methyl-1-pentanol 625.18
    methyl formate 690.02
    2-methyl-1-butanol 911.09
    n-decane 91.73
    butyronitrile 922.76
    3,7-dimethyl-1-octanol 391.2
    1-chlorooctane 338.35
    1-chlorotetradecane 129.37
    n-nonane 97.37
    undecane 67.76
    tert-butylcyclohexane 156.76
    cyclooctane 119.46
    cyclopentanol 1037.18
    tetrahydropyran 1153.99
    tert-amyl methyl ether 702.57
    2,5,8-trioxanonane 688.22
    1-hexene 495.23
    2-isopropoxyethanol 598.8
    2,2,2-trifluoroethanol 517.81
    methyl butyrate 544.64

    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