4,5-Dihydro-2,4,4-trimethyloxazole

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  • Identifiers

    CAS number
    1772-43-6

    Molecular formula
    C6H11NO

    SMILES
    CC1=NC(CO1)(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 52.62%
    Nutty 50.84%
    Herbal 48.72%
    Vegetable 47.29%
    Mint 47.13%
    Musty 45.34%
    Earthy 44.98%
    Roasted 43.91%
    Woody 41.41%
    Sweet 34.9%

     

    Flavor
    Green 49.8%
    Earthy 42.62%
    Herbal 37.19%
    Woody 33.71%
    Musty 30.04%
    Nutty 29.32%
    Camphor 28.34%
    Tobacco 28.24%
    Fruity 26.86%
    Potato 26.11%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.33 (neutral)

    Molecular weight
    113.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    113°C

    Flash point

    • 43.25 ˚C est.

  • Synonyms

    • 2,4,4-Trimethyl-2-oxazoline
    • OXAZOLE, 4,5-DIHYDRO-2,4,4-TRIMETHYL-
    • 4,5-Dihydro-2,4,4-trimethyloxazole
    • EINECS 217-201-6
    • DTXSID10170268
    • NSC 107049
    • RefChem:507732
    • DTXCID9092759
    • 217-201-6
    • 1772-43-6
    • 2,4,4-Trimethyl-4,5-dihydrooxazole
    • 2,4,4-trimethyl-5H-1,3-oxazole
    • MFCD00005301
    • 2,4,4-trimethyloxazoline
    • 2,4,4-trimethyl-5H-oxazole
    • 2,4,4-Trimethyl-4,5-dihydro-1,3-oxazole
    • 2,4,4-trimethyl-1,3-oxazoline
    • Oxazole,4,5-dihydro-2,4,4-trimethyl-
    • 2-Oxazoline, 2,4,4-trimethyl- (6CI,7CI,8CI); 4,5-Dihydro-2,4,4-trimethyloxazole; 2,4,4-Trimethyl-1,3-oxazoline; Oxazole, 4,5-dihydro-2,4,4-trimethyl-
    • NSC107049
    • SCHEMBL428416
    • SCHEMBL428417
    • 2,4,4,-trimethyl-2-oxazoline
    • 2-Oxazoline, 2,4,4-trimethyl-
    • BAA77243
    • AKOS004903767
    • Oxazole,5-dihydro-2,4,4-trimethyl-
    • 2,4,4-Trimethyl-2-oxazoline, 98%
    • NSC-107049
    • LS-13163
    • DB-044292
    • CS-0204303
    • NS00025843
    • ST51000018
    • T1060
    • EN300-96327
    • 2,4,4-Trimethyl-4,5-dihydro-1,3-oxazole #
    • D92443
    • InChI=1/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H
    • 1772-43-6

  • Applications

    4,5-Dihydro-2,4,4-trimethyloxazole is primarily used as an organic synthesis intermediate, providing a building block for compounds used in pharmaceuticals and agrochemicals. In fragrance and cosmetics, it can be employed as a precursor for odorant-containing compounds and may serve as a fragrance component in formulations. It may also function as a specialty intermediate in coatings and inks and as a building block in polymer chemistry for heterocyclic units or functional polymers. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 924.34
    methanol 1303.76
    isopropanol 674.39
    water 117.81
    ethyl acetate 554.12
    n-propanol 671.68
    acetone 536.12
    n-butanol 652.03
    acetonitrile 626.46
    DMF 652.4
    toluene 400.85
    isobutanol 559.06
    1,4-dioxane 728.44
    methyl acetate 591.26
    THF 810.56
    2-butanone 552.32
    n-pentanol 395.48
    sec-butanol 641.91
    n-hexane 155.64
    ethylene glycol 354.3
    NMP 799.32
    cyclohexane 180.58
    DMSO 430.87
    n-butyl acetate 335.06
    n-octanol 311.01
    chloroform 1872.21
    n-propyl acetate 250.54
    acetic acid 1133.69
    dichloromethane 1464.35
    cyclohexanone 660.04
    propylene glycol 401.66
    isopropyl acetate 342.07
    DMAc 767.1
    2-ethoxyethanol 543.89
    isopentanol 521.82
    n-heptane 105.21
    ethyl formate 392.51
    1,2-dichloroethane 587.15
    n-hexanol 502.42
    2-methoxyethanol 925.06
    isobutyl acetate 186.3
    tetrachloromethane 500.92
    n-pentyl acetate 266.98
    transcutol 1061.87
    n-heptanol 260.89
    ethylbenzene 183.26
    MIBK 251.25
    2-propoxyethanol 766.37
    tert-butanol 673.45
    MTBE 576.05
    2-butoxyethanol 386.25
    propionic acid 636.27
    o-xylene 279.79
    formic acid 735.58
    diethyl ether 622.07
    m-xylene 273.15
    p-xylene 255.87
    chlorobenzene 412.27
    dimethyl carbonate 232.1
    n-octane 47.05
    formamide 501.51
    cyclopentanone 591.58
    2-pentanone 423.93
    anisole 315.33
    cyclopentyl methyl ether 546.87
    gamma-butyrolactone 712.37
    1-methoxy-2-propanol 657.85
    pyridine 517.96
    3-pentanone 396.5
    furfural 682.5
    n-dodecane 42.94
    diethylene glycol 575.79
    diisopropyl ether 210.93
    tert-amyl alcohol 687.66
    acetylacetone 405.74
    n-hexadecane 46.19
    acetophenone 269.84
    methyl propionate 466.64
    isopentyl acetate 301.87
    trichloroethylene 1093.87
    n-nonanol 259.49
    cyclohexanol 576.88
    benzyl alcohol 277.46
    2-ethylhexanol 284.39
    isooctanol 194.41
    dipropyl ether 287.18
    1,2-dichlorobenzene 376.63
    ethyl lactate 178.63
    propylene carbonate 462.94
    n-methylformamide 467.31
    2-pentanol 462.31
    n-pentane 173.42
    1-propoxy-2-propanol 477.57
    1-methoxy-2-propyl acetate 372.98
    2-(2-methoxypropoxy) propanol 334.38
    mesitylene 173.29
    ε-caprolactone 639.86
    p-cymene 148.98
    epichlorohydrin 726.3
    1,1,1-trichloroethane 815.51
    2-aminoethanol 527.04
    morpholine-4-carbaldehyde 762.07
    sulfolane 643.5
    2,2,4-trimethylpentane 98.59
    2-methyltetrahydrofuran 801.26
    n-hexyl acetate 422.25
    isooctane 55.59
    2-(2-butoxyethoxy)ethanol 427.73
    sec-butyl acetate 213.04
    tert-butyl acetate 328.15
    decalin 93.07
    glycerin 521.81
    diglyme 652.49
    acrylic acid 577.95
    isopropyl myristate 162.87
    n-butyric acid 640.23
    acetyl acetate 432.48
    di(2-ethylhexyl) phthalate 162.1
    ethyl propionate 274.09
    nitromethane 941.21
    1,2-diethoxyethane 370.53
    benzonitrile 338.14
    trioctyl phosphate 116.22
    1-bromopropane 521.88
    gamma-valerolactone 782.63
    n-decanol 183.51
    triethyl phosphate 142.41
    4-methyl-2-pentanol 244.11
    propionitrile 423.37
    vinylene carbonate 447.34
    1,1,2-trichlorotrifluoroethane 759.74
    DMS 300.57
    cumene 146.43
    2-octanol 192.62
    2-hexanone 255.31
    octyl acetate 217.72
    limonene 217.16
    1,2-dimethoxyethane 578.64
    ethyl orthosilicate 149.48
    tributyl phosphate 146.01
    diacetone alcohol 349.8
    N,N-dimethylaniline 233.86
    acrylonitrile 451.5
    aniline 402.04
    1,3-propanediol 587.34
    bromobenzene 427.95
    dibromomethane 997.63
    1,1,2,2-tetrachloroethane 907.26
    2-methyl-cyclohexyl acetate 216.03
    tetrabutyl urea 168.48
    diisobutyl methanol 145.99
    2-phenylethanol 324.51
    styrene 208.84
    dioctyl adipate 200.49
    dimethyl sulfate 320.5
    ethyl butyrate 248.19
    methyl lactate 284.95
    butyl lactate 211.03
    diethyl carbonate 180.85
    propanediol butyl ether 349.77
    triethyl orthoformate 201.3
    p-tert-butyltoluene 150.15
    methyl 4-tert-butylbenzoate 285.99
    morpholine 764.21
    tert-butylamine 496.69
    n-dodecanol 138.51
    dimethoxymethane 494.88
    ethylene carbonate 379.12
    cyrene 258.31
    2-ethoxyethyl acetate 335.66
    2-ethylhexyl acetate 266.54
    1,2,4-trichlorobenzene 472.58
    4-methylpyridine 610.1
    dibutyl ether 252.25
    2,6-dimethyl-4-heptanol 145.99
    DEF 523.33
    dimethyl isosorbide 432.76
    tetrachloroethylene 657.75
    eugenol 271.45
    triacetin 349.11
    span 80 308.27
    1,4-butanediol 270.43
    1,1-dichloroethane 772.53
    2-methyl-1-pentanol 364.37
    methyl formate 390.49
    2-methyl-1-butanol 565.88
    n-decane 67.0
    butyronitrile 453.57
    3,7-dimethyl-1-octanol 272.27
    1-chlorooctane 193.71
    1-chlorotetradecane 86.6
    n-nonane 68.06
    undecane 51.38
    tert-butylcyclohexane 99.46
    cyclooctane 78.78
    cyclopentanol 535.35
    tetrahydropyran 664.24
    tert-amyl methyl ether 514.13
    2,5,8-trioxanonane 433.92
    1-hexene 287.53
    2-isopropoxyethanol 376.05
    2,2,2-trifluoroethanol 504.29
    methyl butyrate 312.74

    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