5-Acetyl-2,4-dimethyloxazole

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  • Identifiers

    CAS number
    23012-25-1

    Molecular formula
    C7H9NO2

    SMILES
    CC1=C(OC(=N1)C)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 73.35%
    Roasted 72.7%
    Caramellic 50.76%
    Meaty 48.99%
    Burnt 46.88%
    Hazelnut 44.22%
    Coffee 40.68%
    Earthy 37.7%
    Popcorn 37.39%
    Musty 36.61%

     

    Flavor
    Nutty 61.25%
    Roasted 54.39%
    Burnt 50.06%
    Musty 45.57%
    Cocoa 42.25%
    Coffee 41.74%
    Earthy 41.33%
    Potato 38.76%
    Popcorn 38.25%
    Roast 36.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.88 (weak acid)

    Molecular weight
    139.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    228°C

    Flash point

    • 72.19 ˚C est.

  • Synonyms

    • 23012-25-1
    • 5-acetyl-2,4-dimethyloxazole
    • 1-(dimethyl-1,3-oxazol-5-yl)ethan-1-one
    • RefChem:1072595
    • 1-(2,4-dimethyl-1,3-oxazol-5-yl)ethan-1-one
    • 1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
    • 1-(2,4-dimethyloxazol-5-yl)ethanone
    • Ethanone, 1-(2,4-dimethyl-5-oxazolyl)-
    • MFCD01934451
    • 5-acetyl-2,4-dimethyl-1,3-oxazole
    • NSC254970
    • NSC 254970
    • NSC-254970
    • 1-(2,4-Dimethyl-5-oxazolyl)ethanone
    • 2,4-dimethyl-5-acetyloxazole
    • LCY7CQ7XQY
    • SCHEMBL210291
    • DTXSID30312446
    • CHEBI:166558
    • SBB086065
    • AKOS005198929
    • AT50443
    • PS-4622
    • 1-(2,4-dimethyl-oxazol-5-yl)-ethanone
    • BP-10018
    • Ethanone,1-(2,4-dimethyl-5-oxazolyl)-
    • SY062834
    • DB-017043
    • 1-(2,4-Dimethyl-5-oxazolyl)ethanone, 9CI
    • CS-0212469
    • 1-(2,4-DIMETHYLOXAZOL-5-YL)ETHAN-1-ONE
    • F023608
    • 23012-25-1

  • Applications

    5-Acetyl-2,4-dimethyloxazole (CAS 23012-25-1) is primarily used as an intermediate in organic synthesis, serving as a versatile heterocyclic building block for pharmaceutical and agrochemical compounds. It is also evaluated for use in specialty chemicals for polymers and coatings, where the oxazole ring provides thermal and chemical stability. In fragrance and flavor development, it may function as a fragrance intermediate or structural scaffold for aroma chemistry, while in cosmetics, personal care, and household products it can be explored as a synthetic precursor for functional ingredient families. Overall, its applications are mainly as an intermediate in R&D and process development across these industries, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 482.54
    methanol 919.41
    isopropanol 367.57
    water 88.78
    ethyl acetate 552.7
    n-propanol 427.77
    acetone 755.44
    n-butanol 383.45
    acetonitrile 720.94
    DMF 1646.41
    toluene 342.66
    isobutanol 359.08
    1,4-dioxane 1003.57
    methyl acetate 620.56
    THF 1141.93
    2-butanone 547.24
    n-pentanol 279.32
    sec-butanol 386.18
    n-hexane 114.15
    ethylene glycol 357.74
    NMP 1349.41
    cyclohexane 118.13
    DMSO 1247.48
    n-butyl acetate 240.44
    n-octanol 186.7
    chloroform 1205.91
    n-propyl acetate 270.23
    acetic acid 541.33
    dichloromethane 1621.66
    cyclohexanone 695.21
    propylene glycol 262.71
    isopropyl acetate 314.26
    DMAc 1373.83
    2-ethoxyethanol 624.41
    isopentanol 314.58
    n-heptane 54.86
    ethyl formate 438.7
    1,2-dichloroethane 923.45
    n-hexanol 231.95
    2-methoxyethanol 1130.59
    isobutyl acetate 176.62
    tetrachloromethane 263.26
    n-pentyl acetate 202.32
    transcutol 628.7
    n-heptanol 136.38
    ethylbenzene 208.58
    MIBK 299.32
    2-propoxyethanol 519.68
    tert-butanol 440.16
    MTBE 489.21
    2-butoxyethanol 251.54
    propionic acid 393.82
    o-xylene 273.95
    formic acid 451.59
    diethyl ether 547.89
    m-xylene 272.14
    p-xylene 290.71
    chlorobenzene 457.05
    dimethyl carbonate 430.65
    n-octane 32.5
    formamide 550.72
    cyclopentanone 852.04
    2-pentanone 467.78
    anisole 446.21
    cyclopentyl methyl ether 644.04
    gamma-butyrolactone 1084.13
    1-methoxy-2-propanol 719.89
    pyridine 611.62
    3-pentanone 448.57
    furfural 981.57
    n-dodecane 31.73
    diethylene glycol 492.19
    diisopropyl ether 189.35
    tert-amyl alcohol 426.78
    acetylacetone 660.68
    n-hexadecane 35.66
    acetophenone 364.65
    methyl propionate 566.47
    isopentyl acetate 214.01
    trichloroethylene 1237.19
    n-nonanol 159.05
    cyclohexanol 388.08
    benzyl alcohol 327.18
    2-ethylhexanol 153.75
    isooctanol 120.08
    dipropyl ether 202.3
    1,2-dichlorobenzene 475.55
    ethyl lactate 203.35
    propylene carbonate 538.66
    n-methylformamide 805.26
    2-pentanol 270.26
    n-pentane 91.78
    1-propoxy-2-propanol 283.45
    1-methoxy-2-propyl acetate 300.26
    2-(2-methoxypropoxy) propanol 228.98
    mesitylene 192.96
    ε-caprolactone 604.55
    p-cymene 112.38
    epichlorohydrin 1174.95
    1,1,1-trichloroethane 665.88
    2-aminoethanol 419.35
    morpholine-4-carbaldehyde 1189.54
    sulfolane 1187.26
    2,2,4-trimethylpentane 66.47
    2-methyltetrahydrofuran 783.01
    n-hexyl acetate 310.69
    isooctane 42.61
    2-(2-butoxyethoxy)ethanol 280.25
    sec-butyl acetate 197.84
    tert-butyl acetate 337.59
    decalin 87.77
    glycerin 460.52
    diglyme 600.61
    acrylic acid 413.37
    isopropyl myristate 130.87
    n-butyric acid 403.37
    acetyl acetate 412.09
    di(2-ethylhexyl) phthalate 121.0
    ethyl propionate 341.02
    nitromethane 1172.8
    1,2-diethoxyethane 262.93
    benzonitrile 416.12
    trioctyl phosphate 97.36
    1-bromopropane 472.5
    gamma-valerolactone 1081.17
    n-decanol 115.55
    triethyl phosphate 151.88
    4-methyl-2-pentanol 165.74
    propionitrile 494.16
    vinylene carbonate 571.07
    1,1,2-trichlorotrifluoroethane 691.67
    DMS 360.87
    cumene 158.95
    2-octanol 128.95
    2-hexanone 283.4
    octyl acetate 163.35
    limonene 156.08
    1,2-dimethoxyethane 973.68
    ethyl orthosilicate 146.66
    tributyl phosphate 116.41
    diacetone alcohol 351.46
    N,N-dimethylaniline 342.34
    acrylonitrile 643.32
    aniline 354.24
    1,3-propanediol 481.89
    bromobenzene 488.28
    dibromomethane 962.1
    1,1,2,2-tetrachloroethane 937.07
    2-methyl-cyclohexyl acetate 179.58
    tetrabutyl urea 163.88
    diisobutyl methanol 96.17
    2-phenylethanol 238.28
    styrene 247.03
    dioctyl adipate 164.91
    dimethyl sulfate 757.53
    ethyl butyrate 220.2
    methyl lactate 351.39
    butyl lactate 151.19
    diethyl carbonate 176.01
    propanediol butyl ether 237.72
    triethyl orthoformate 164.76
    p-tert-butyltoluene 118.58
    methyl 4-tert-butylbenzoate 289.31
    morpholine 871.36
    tert-butylamine 307.01
    n-dodecanol 90.2
    dimethoxymethane 1102.47
    ethylene carbonate 481.42
    cyrene 291.48
    2-ethoxyethyl acetate 273.81
    2-ethylhexyl acetate 181.35
    1,2,4-trichlorobenzene 502.85
    4-methylpyridine 672.06
    dibutyl ether 191.25
    2,6-dimethyl-4-heptanol 96.17
    DEF 704.97
    dimethyl isosorbide 391.42
    tetrachloroethylene 689.76
    eugenol 261.41
    triacetin 269.37
    span 80 172.19
    1,4-butanediol 268.01
    1,1-dichloroethane 688.97
    2-methyl-1-pentanol 264.07
    methyl formate 737.1
    2-methyl-1-butanol 355.83
    n-decane 46.83
    butyronitrile 445.4
    3,7-dimethyl-1-octanol 163.46
    1-chlorooctane 156.99
    1-chlorotetradecane 71.37
    n-nonane 48.16
    undecane 37.3
    tert-butylcyclohexane 84.02
    cyclooctane 57.59
    cyclopentanol 449.93
    tetrahydropyran 631.72
    tert-amyl methyl ether 435.49
    2,5,8-trioxanonane 375.71
    1-hexene 216.68
    2-isopropoxyethanol 360.71
    2,2,2-trifluoroethanol 333.1
    methyl butyrate 413.22

    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