2,4,5-Trimethyl-3-oxazoline

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  • Identifiers

    CAS number
    22694-96-8

    Molecular formula
    C6H11NO

    SMILES
    CC1C(=NC(O1)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 80.27%
    Vegetable 68.23%
    Green 68.07%
    Woody 58.93%
    Cocoa 58.11%
    Roasted 56.73%
    Musty 56.25%
    Earthy 51.52%
    Meaty 48.48%
    Chocolate 46.49%

     

    Flavor
    Green 72.0%
    Nutty 66.92%
    Musty 47.26%
    Caramel 44.69%
    Vegetable 41.65%
    Earthy 41.59%
    Potato 37.45%
    Roasted 36.22%
    Raw 35.07%
    Wood 33.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    7.41 (neutral)

    Molecular weight
    113.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 125.00 to 127.00 °C. @ 760.00 mm Hg

    Flash point

    • 41.8 ˚C est.

    Solubility expt.

    • slightly
    • Soluble in water, propylene glycol; insoluble in most fixed oils
    • Soluble (in ethanol)

  • Synonyms

    • 2,4,5-TRIMETHYL-3-OXAZOLINE
    • 22694-96-8
    • 2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
    • 2,5-Dihydro-2,4,5-trimethyloxazole
    • FEMA No. 3525
    • 2,4,5-Trimethyl-2,5-dihydrooxazole
    • 3-Oxazoline, 2,4,5-trimethyl-
    • Oxazole, 2,5-dihydro-2,4,5-trimethyl-
    • peanut oxazole
    • BRN 1098973
    • UNII-KHQ1Z14L8P
    • 2,4,5-trimethyl-delta-3-oxazoline
    • KHQ1Z14L8P
    • DTXSID8047133
    • Oxazole, 2,5-dihydro-2,4,5-trimethl-
    • 2,4,5-Trimethyl-3-oxazoline, cis + trans
    • DTXCID6027133
    • 2,4,5-TRIMETHYL DELTA-3-OXAZOLINE
    • 2,4,5-TRIMETHYL-.DELTA.-3-OXAZOLINE
    • (+/-)-2,4,5-TRIMETHYL-3-OXAZOLINE
    • 2,4,5-TRIMETHYL DELTA-3-OXAZOLINE [FCC]
    • 2,4,5-TRIMETHYL-3-OXAZOLINE, (+/-)-
    • 2,4,5-TRIMETHYL-.DELTA.-3-OXAZOLINE [FHFI]
    • FEMA 3525
    • SCHEMBL5563302
    • CHEMBL3188899
    • CHEBI:173328
    • Tox21_303617
    • MFCD00053161
    • 2,4,5-Trimethyl-3-oxazoline, 8CI
    • AKOS006229175
    • 2,5-Dihydro-2,4,5-trimethl-Oxazole
    • 2,5-dihydro-2,4,5-trimethyl-Oxazole
    • NCGC00256619-01
    • AS-81272
    • CAS-22694-96-8
    • NS00021873
    • Q27282250
    • 2,4,5-Trimethyl-2,5-dihydro-1,3-oxazole, AldrichCPR
    • 607-131-8

  • Applications

    2,4,5-Trimethyl-3-oxazoline (CAS 22694-96-8) is primarily used as a monomer/building block for oxazoline-containing polymers; it is studied as a precursor to poly(oxazoline) derivatives that have potential applications in polymers, notably in coatings, paints, and specialty plastics due to ease of processing and thermal stability; it also serves as an intermediate in organic synthesis to introduce oxazoline functionality into more complex molecules; in electronics and advanced materials, oxazoline-containing polymers are explored as insulating dielectric materials or encapsulants; and it may act as a precursor for tailored monomer structures in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1082.44
    methanol 1776.25
    isopropanol 737.49
    water 172.17
    ethyl acetate 413.64
    n-propanol 788.99
    acetone 533.11
    n-butanol 715.09
    acetonitrile 696.34
    DMF 704.17
    toluene 340.2
    isobutanol 621.05
    1,4-dioxane 715.07
    methyl acetate 431.56
    THF 883.17
    2-butanone 476.18
    n-pentanol 427.93
    sec-butanol 703.69
    n-hexane 100.24
    ethylene glycol 392.88
    NMP 806.84
    cyclohexane 131.44
    DMSO 654.29
    n-butyl acetate 169.01
    n-octanol 170.09
    chloroform 2071.88
    n-propyl acetate 150.99
    acetic acid 986.51
    dichloromethane 1853.82
    cyclohexanone 543.67
    propylene glycol 399.07
    isopropyl acetate 225.92
    DMAc 705.47
    2-ethoxyethanol 558.41
    isopentanol 528.7
    n-heptane 51.9
    ethyl formate 323.38
    1,2-dichloroethane 728.05
    n-hexanol 312.59
    2-methoxyethanol 1032.53
    isobutyl acetate 109.72
    tetrachloromethane 469.37
    n-pentyl acetate 155.98
    transcutol 900.04
    n-heptanol 163.66
    ethylbenzene 133.65
    MIBK 192.86
    2-propoxyethanol 496.58
    tert-butanol 620.26
    MTBE 465.59
    2-butoxyethanol 279.24
    propionic acid 523.75
    o-xylene 210.72
    formic acid 835.45
    diethyl ether 541.94
    m-xylene 187.71
    p-xylene 181.48
    chlorobenzene 428.85
    dimethyl carbonate 130.7
    n-octane 24.33
    formamide 802.1
    cyclopentanone 612.69
    2-pentanone 332.77
    anisole 264.72
    cyclopentyl methyl ether 425.28
    gamma-butyrolactone 672.85
    1-methoxy-2-propanol 646.7
    pyridine 681.88
    3-pentanone 299.81
    furfural 725.21
    n-dodecane 20.53
    diethylene glycol 445.49
    diisopropyl ether 135.96
    tert-amyl alcohol 612.39
    acetylacetone 310.73
    n-hexadecane 22.1
    acetophenone 208.77
    methyl propionate 323.04
    isopentyl acetate 162.37
    trichloroethylene 1212.76
    n-nonanol 151.66
    cyclohexanol 516.9
    benzyl alcohol 273.34
    2-ethylhexanol 164.63
    isooctanol 129.52
    dipropyl ether 164.5
    1,2-dichlorobenzene 354.51
    ethyl lactate 123.86
    propylene carbonate 324.66
    n-methylformamide 608.67
    2-pentanol 434.48
    n-pentane 130.65
    1-propoxy-2-propanol 282.72
    1-methoxy-2-propyl acetate 191.92
    2-(2-methoxypropoxy) propanol 223.29
    mesitylene 106.12
    ε-caprolactone 458.47
    p-cymene 87.72
    epichlorohydrin 810.73
    1,1,1-trichloroethane 738.67
    2-aminoethanol 680.15
    morpholine-4-carbaldehyde 707.22
    sulfolane 619.64
    2,2,4-trimethylpentane 63.5
    2-methyltetrahydrofuran 785.61
    n-hexyl acetate 223.07
    isooctane 31.74
    2-(2-butoxyethoxy)ethanol 299.83
    sec-butyl acetate 129.13
    tert-butyl acetate 207.13
    decalin 58.63
    glycerin 486.93
    diglyme 531.2
    acrylic acid 525.2
    isopropyl myristate 89.17
    n-butyric acid 564.94
    acetyl acetate 260.59
    di(2-ethylhexyl) phthalate 105.15
    ethyl propionate 161.69
    nitromethane 924.04
    1,2-diethoxyethane 258.65
    benzonitrile 356.0
    trioctyl phosphate 65.83
    1-bromopropane 604.63
    gamma-valerolactone 738.34
    n-decanol 104.58
    triethyl phosphate 88.58
    4-methyl-2-pentanol 200.11
    propionitrile 493.63
    vinylene carbonate 339.4
    1,1,2-trichlorotrifluoroethane 656.34
    DMS 167.14
    cumene 105.82
    2-octanol 116.1
    2-hexanone 187.34
    octyl acetate 116.29
    limonene 126.93
    1,2-dimethoxyethane 549.02
    ethyl orthosilicate 89.45
    tributyl phosphate 84.84
    diacetone alcohol 261.38
    N,N-dimethylaniline 197.81
    acrylonitrile 554.39
    aniline 472.14
    1,3-propanediol 712.34
    bromobenzene 422.43
    dibromomethane 1229.61
    1,1,2,2-tetrachloroethane 918.44
    2-methyl-cyclohexyl acetate 129.54
    tetrabutyl urea 106.01
    diisobutyl methanol 86.4
    2-phenylethanol 219.39
    styrene 178.58
    dioctyl adipate 120.8
    dimethyl sulfate 209.48
    ethyl butyrate 143.84
    methyl lactate 206.18
    butyl lactate 125.19
    diethyl carbonate 103.97
    propanediol butyl ether 220.06
    triethyl orthoformate 112.55
    p-tert-butyltoluene 83.5
    methyl 4-tert-butylbenzoate 202.54
    morpholine 827.24
    tert-butylamine 460.1
    n-dodecanol 77.82
    dimethoxymethane 447.99
    ethylene carbonate 263.32
    cyrene 202.87
    2-ethoxyethyl acetate 212.32
    2-ethylhexyl acetate 132.37
    1,2,4-trichlorobenzene 428.1
    4-methylpyridine 663.47
    dibutyl ether 159.77
    2,6-dimethyl-4-heptanol 86.4
    DEF 401.16
    dimethyl isosorbide 303.64
    tetrachloroethylene 697.14
    eugenol 208.22
    triacetin 196.89
    span 80 194.72
    1,4-butanediol 303.88
    1,1-dichloroethane 881.49
    2-methyl-1-pentanol 379.03
    methyl formate 387.96
    2-methyl-1-butanol 607.44
    n-decane 34.06
    butyronitrile 506.91
    3,7-dimethyl-1-octanol 161.11
    1-chlorooctane 113.4
    1-chlorotetradecane 46.51
    n-nonane 34.05
    undecane 25.42
    tert-butylcyclohexane 55.25
    cyclooctane 45.51
    cyclopentanol 577.47
    tetrahydropyran 601.01
    tert-amyl methyl ether 375.89
    2,5,8-trioxanonane 359.03
    1-hexene 227.76
    2-isopropoxyethanol 338.73
    2,2,2-trifluoroethanol 401.12
    methyl butyrate 207.44

    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