2-Ethyl-4,5-dimethyloxazole

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  • Identifiers

    CAS number
    53833-30-0

    Molecular formula
    C7H11NO

    SMILES
    CCC1=NC(=C(O1)C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 79.7%
    Nutty 66.81%
    Roasted 64.94%
    Earthy 61.19%
    Vegetable 60.08%
    Musty 48.1%
    Burnt 46.51%
    Meaty 43.49%
    Cocoa 39.62%
    Hazelnut 39.41%

     

    Flavor
    Green 56.96%
    Nutty 56.72%
    Roasted 55.5%
    Earthy 51.73%
    Vegetable 50.04%
    Burnt 45.43%
    Potato 35.36%
    Coffee 34.0%
    Meaty 32.57%
    Musty 31.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.49 (neutral)

    Molecular weight
    125.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 60.00 °C. @ 18.00 mm Hg

    Flash point

    • 42.08 ˚C est.

    Solubility expt.

    • Insoluble in water; Slightly soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • 2-Ethyl-4,5-dimethyloxazole
    • 53833-30-0
    • 2-Ethyl-4,5-dimethyl-1,3-oxazole
    • Oxazole, 2-ethyl-4,5-dimethyl-
    • 2-Ethyl-4,5-dimethyl oxazole
    • 4,5-Dimethyl-2-ethyloxazole
    • FEMA No. 3672
    • UNII-0W53S23NG4
    • FEMA 3672
    • 0W53S23NG4
    • EINECS 258-815-4
    • 2-Ethyl-4,5-dimethyl-Oxazole
    • DTXSID3068885
    • 2-ETHYL-4,5-DIMETHYLOXAZOLE [FHFI]
    • MFCD00036664
    • SCHEMBL1532490
    • DTXCID5041516
    • CHEBI:177638
    • AKOS015950874
    • 2-Ethyl-4,5-dimethyl-1,3-oxazole #
    • AS-59238
    • CS-0359222
    • NS00022329
    • 2-Ethyl-4,5-dimethyl-1,3-oxazole, AldrichCPR
    • Q27231181
    • 258-815-4

  • Applications

    2-Ethyl-4,5-dimethyloxazole, CAS 53833-30-0, is primarily used as an intermediate in the synthesis of heterocyclic compounds containing oxazole rings for pharmaceutical and agrochemical applications, serving as a building block for further oxazole derivatives. It is used in chemical research and development as a versatile substrate to explore heterocyclic reactions and optimize synthetic routes. The compound may be considered a fragrance precursor or scent-active building block in the fragrance industry, depending on formulation goals. Additionally, it can be used as a research reagent or material science substrate where the oxazole ring is leveraged to develop functional polymers or coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1823.51
    methanol 3452.6
    isopropanol 1338.31
    water 63.51
    ethyl acetate 965.83
    n-propanol 1612.56
    acetone 1252.43
    n-butanol 1497.97
    acetonitrile 1112.56
    DMF 2457.38
    toluene 709.53
    isobutanol 1364.46
    1,4-dioxane 1601.87
    methyl acetate 1043.12
    THF 1884.06
    2-butanone 1197.01
    n-pentanol 1101.35
    sec-butanol 1438.19
    n-hexane 371.37
    ethylene glycol 713.22
    NMP 1912.14
    cyclohexane 290.03
    DMSO 1878.64
    n-butyl acetate 643.82
    n-octanol 604.67
    chloroform 3768.6
    n-propyl acetate 619.51
    acetic acid 992.41
    dichloromethane 4042.17
    cyclohexanone 1468.79
    propylene glycol 785.04
    isopropyl acetate 659.11
    DMAc 2074.67
    2-ethoxyethanol 1530.06
    isopentanol 1165.0
    n-heptane 148.64
    ethyl formate 907.88
    1,2-dichloroethane 2051.15
    n-hexanol 785.09
    2-methoxyethanol 2372.13
    isobutyl acetate 460.64
    tetrachloromethane 976.14
    n-pentyl acetate 612.63
    transcutol 1728.99
    n-heptanol 494.53
    ethylbenzene 529.29
    MIBK 675.55
    2-propoxyethanol 1277.25
    tert-butanol 1289.75
    MTBE 1362.47
    2-butoxyethanol 861.59
    propionic acid 928.79
    o-xylene 588.02
    formic acid 736.1
    diethyl ether 1189.41
    m-xylene 534.37
    p-xylene 743.25
    chlorobenzene 1088.2
    dimethyl carbonate 524.53
    n-octane 102.05
    formamide 821.26
    cyclopentanone 1674.7
    2-pentanone 970.99
    anisole 996.82
    cyclopentyl methyl ether 1127.48
    gamma-butyrolactone 1748.79
    1-methoxy-2-propanol 1560.47
    pyridine 1340.52
    3-pentanone 870.71
    furfural 1894.4
    n-dodecane 95.29
    diethylene glycol 962.4
    diisopropyl ether 444.57
    tert-amyl alcohol 1385.71
    acetylacetone 1003.94
    n-hexadecane 102.98
    acetophenone 804.38
    methyl propionate 896.72
    isopentyl acetate 628.71
    trichloroethylene 3015.0
    n-nonanol 488.91
    cyclohexanol 1038.98
    benzyl alcohol 853.3
    2-ethylhexanol 493.06
    isooctanol 418.83
    dipropyl ether 534.82
    1,2-dichlorobenzene 1111.3
    ethyl lactate 416.73
    propylene carbonate 984.6
    n-methylformamide 1445.46
    2-pentanol 980.2
    n-pentane 314.29
    1-propoxy-2-propanol 780.19
    1-methoxy-2-propyl acetate 599.25
    2-(2-methoxypropoxy) propanol 578.71
    mesitylene 373.39
    ε-caprolactone 1247.68
    p-cymene 302.14
    epichlorohydrin 2258.3
    1,1,1-trichloroethane 1776.95
    2-aminoethanol 1190.2
    morpholine-4-carbaldehyde 1851.27
    sulfolane 1962.13
    2,2,4-trimethylpentane 219.75
    2-methyltetrahydrofuran 1648.17
    n-hexyl acetate 887.42
    isooctane 136.04
    2-(2-butoxyethoxy)ethanol 818.72
    sec-butyl acetate 478.71
    tert-butyl acetate 704.09
    decalin 223.26
    glycerin 933.38
    diglyme 1498.79
    acrylic acid 834.52
    isopropyl myristate 342.31
    n-butyric acid 1126.24
    acetyl acetate 629.23
    di(2-ethylhexyl) phthalate 341.91
    ethyl propionate 655.21
    nitromethane 1571.41
    1,2-diethoxyethane 764.47
    benzonitrile 1047.41
    trioctyl phosphate 260.68
    1-bromopropane 1451.39
    gamma-valerolactone 1998.46
    n-decanol 348.69
    triethyl phosphate 286.78
    4-methyl-2-pentanol 532.23
    propionitrile 1111.75
    vinylene carbonate 1037.86
    1,1,2-trichlorotrifluoroethane 1488.0
    DMS 655.76
    cumene 437.67
    2-octanol 441.11
    2-hexanone 731.21
    octyl acetate 434.96
    limonene 396.01
    1,2-dimethoxyethane 2085.11
    ethyl orthosilicate 293.0
    tributyl phosphate 323.24
    diacetone alcohol 717.66
    N,N-dimethylaniline 811.63
    acrylonitrile 1296.23
    aniline 892.33
    1,3-propanediol 1319.05
    bromobenzene 1190.21
    dibromomethane 2634.43
    1,1,2,2-tetrachloroethane 2597.89
    2-methyl-cyclohexyl acetate 439.74
    tetrabutyl urea 410.1
    diisobutyl methanol 275.8
    2-phenylethanol 681.66
    styrene 623.45
    dioctyl adipate 418.09
    dimethyl sulfate 846.22
    ethyl butyrate 510.44
    methyl lactate 558.57
    butyl lactate 478.34
    diethyl carbonate 377.46
    propanediol butyl ether 776.53
    triethyl orthoformate 371.95
    p-tert-butyltoluene 302.07
    methyl 4-tert-butylbenzoate 702.07
    morpholine 1723.64
    tert-butylamine 1018.7
    n-dodecanol 267.62
    dimethoxymethane 1570.78
    ethylene carbonate 839.25
    cyrene 595.5
    2-ethoxyethyl acetate 687.15
    2-ethylhexyl acetate 536.12
    1,2,4-trichlorobenzene 1251.95
    4-methylpyridine 1579.59
    dibutyl ether 617.34
    2,6-dimethyl-4-heptanol 275.8
    DEF 1322.58
    dimethyl isosorbide 826.05
    tetrachloroethylene 1855.63
    eugenol 720.52
    triacetin 630.11
    span 80 514.0
    1,4-butanediol 765.64
    1,1-dichloroethane 1884.74
    2-methyl-1-pentanol 996.04
    methyl formate 1119.53
    2-methyl-1-butanol 1330.1
    n-decane 142.61
    butyronitrile 1267.62
    3,7-dimethyl-1-octanol 525.66
    1-chlorooctane 470.54
    1-chlorotetradecane 201.57
    n-nonane 148.55
    undecane 112.21
    tert-butylcyclohexane 245.63
    cyclooctane 131.02
    cyclopentanol 1177.65
    tetrahydropyran 1362.49
    tert-amyl methyl ether 1164.05
    2,5,8-trioxanonane 917.84
    1-hexene 757.98
    2-isopropoxyethanol 933.37
    2,2,2-trifluoroethanol 510.32
    methyl butyrate 889.07

    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