2-Ethyl-2,5,5-trimethyl-4-(propan-2-yl)-1,3-dioxane

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  • Identifiers

    CAS number
    6290-33-1

    Molecular formula
    C12H24O2

    SMILES
    CCC1(OCC(C(O1)C(C)C)(C)C)C

  • Odor profile

    Fragrance
    Woody 60.59%
    Fruity 57.63%
    Herbal 53.56%
    Green 49.58%
    Mint 48.4%
    Camphoreous 46.59%
    Fresh 41.52%
    Earthy 40.65%
    Spicy 36.25%
    Pine 30.41%

     

    Flavor
    Green 75.5%
    Earthy 47.49%
    Herbal 38.15%
    Tropical 30.9%
    Vegetable 29.87%
    Minty 27.74%
    Woody 25.91%
    Camphor 25.91%
    Pepper 24.95%
    Earth 24.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.59 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 66.71 ˚C est.

  • Synonyms

    • 6290-33-1
    • 2-ethyl-2,5,5-trimethyl-4-(propan-2-yl)-1,3-dioxane
    • NSC6615
    • SCHEMBL11461227
    • DTXSID00278202
    • NSC-6615

  • Applications

    2-Ethyl-2,5,5-trimethyl-4-(propan-2-yl)-1,3-dioxane (CAS 6290-33-1) is commonly evaluated in fragrance and perfumery as an odorant and occasionally a fixative; in cosmetics and personal care formulations it may be used as a fragrance ingredient to deliver specific notes; in household products and cleaners it can serve as a fragrance component or a mild solvent; in coatings, inks, and other industrial manufacturing contexts it may function as a solvent or processing aid; as an intermediate for the synthesis of fragrance-related compounds, it may be used in further chemical development; and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 576.02
    methanol 587.07
    isopropanol 602.37
    water 2.89
    ethyl acetate 740.81
    n-propanol 666.27
    acetone 714.37
    n-butanol 679.6
    acetonitrile 565.27
    DMF 788.95
    toluene 962.95
    isobutanol 672.56
    1,4-dioxane 1181.31
    methyl acetate 710.9
    THF 1539.39
    2-butanone 847.55
    n-pentanol 614.34
    sec-butanol 756.68
    n-hexane 446.69
    ethylene glycol 114.91
    NMP 1012.52
    cyclohexane 615.78
    DMSO 547.41
    n-butyl acetate 1077.7
    n-octanol 805.37
    chloroform 3346.55
    n-propyl acetate 701.83
    acetic acid 494.97
    dichloromethane 2406.63
    cyclohexanone 1524.71
    propylene glycol 206.79
    isopropyl acetate 614.88
    DMAc 953.3
    2-ethoxyethanol 552.91
    isopentanol 685.9
    n-heptane 463.33
    ethyl formate 549.88
    1,2-dichloroethane 1127.53
    n-hexanol 996.86
    2-methoxyethanol 664.24
    isobutyl acetate 616.55
    tetrachloromethane 809.73
    n-pentyl acetate 870.38
    transcutol 1056.34
    n-heptanol 694.7
    ethylbenzene 762.49
    MIBK 578.04
    2-propoxyethanol 852.19
    tert-butanol 772.42
    MTBE 973.46
    2-butoxyethanol 670.91
    propionic acid 494.65
    o-xylene 809.74
    formic acid 144.49
    diethyl ether 841.63
    m-xylene 745.01
    p-xylene 1100.51
    chlorobenzene 981.25
    dimethyl carbonate 285.02
    n-octane 215.07
    formamide 160.31
    cyclopentanone 1181.75
    2-pentanone 719.85
    anisole 768.6
    cyclopentyl methyl ether 1091.0
    gamma-butyrolactone 1143.96
    1-methoxy-2-propanol 578.47
    pyridine 1002.62
    3-pentanone 675.55
    furfural 1006.98
    n-dodecane 170.85
    diethylene glycol 406.74
    diisopropyl ether 446.54
    tert-amyl alcohol 829.67
    acetylacetone 710.33
    n-hexadecane 191.76
    acetophenone 771.38
    methyl propionate 599.06
    isopentyl acetate 1062.96
    trichloroethylene 2166.66
    n-nonanol 654.48
    cyclohexanol 957.32
    benzyl alcohol 580.34
    2-ethylhexanol 812.81
    isooctanol 582.13
    dipropyl ether 809.03
    1,2-dichlorobenzene 1020.11
    ethyl lactate 361.17
    propylene carbonate 930.56
    n-methylformamide 370.16
    2-pentanol 600.2
    n-pentane 341.34
    1-propoxy-2-propanol 761.55
    1-methoxy-2-propyl acetate 751.16
    2-(2-methoxypropoxy) propanol 551.04
    mesitylene 577.82
    ε-caprolactone 1406.09
    p-cymene 660.65
    epichlorohydrin 1271.82
    1,1,1-trichloroethane 1606.24
    2-aminoethanol 243.25
    morpholine-4-carbaldehyde 1082.33
    sulfolane 1207.42
    2,2,4-trimethylpentane 249.18
    2-methyltetrahydrofuran 1412.99
    n-hexyl acetate 1216.25
    isooctane 179.23
    2-(2-butoxyethoxy)ethanol 609.56
    sec-butyl acetate 581.94
    tert-butyl acetate 649.23
    decalin 372.25
    glycerin 230.86
    diglyme 1125.98
    acrylic acid 390.64
    isopropyl myristate 537.94
    n-butyric acid 730.46
    acetyl acetate 557.36
    di(2-ethylhexyl) phthalate 436.18
    ethyl propionate 644.24
    nitromethane 639.32
    1,2-diethoxyethane 720.37
    benzonitrile 885.89
    trioctyl phosphate 380.3
    1-bromopropane 1098.68
    gamma-valerolactone 1450.38
    n-decanol 462.5
    triethyl phosphate 429.63
    4-methyl-2-pentanol 426.54
    propionitrile 652.2
    vinylene carbonate 922.2
    1,1,2-trichlorotrifluoroethane 883.01
    DMS 625.52
    cumene 597.44
    2-octanol 632.75
    2-hexanone 769.22
    octyl acetate 658.43
    limonene 838.72
    1,2-dimethoxyethane 1080.95
    ethyl orthosilicate 413.29
    tributyl phosphate 422.16
    diacetone alcohol 531.66
    N,N-dimethylaniline 658.37
    acrylonitrile 596.34
    aniline 614.91
    1,3-propanediol 376.05
    bromobenzene 1241.07
    dibromomethane 1880.34
    1,1,2,2-tetrachloroethane 2054.56
    2-methyl-cyclohexyl acetate 784.79
    tetrabutyl urea 486.12
    diisobutyl methanol 446.97
    2-phenylethanol 748.23
    styrene 767.96
    dioctyl adipate 608.55
    dimethyl sulfate 408.1
    ethyl butyrate 824.77
    methyl lactate 305.54
    butyl lactate 583.49
    diethyl carbonate 555.05
    propanediol butyl ether 587.92
    triethyl orthoformate 625.11
    p-tert-butyltoluene 633.01
    methyl 4-tert-butylbenzoate 741.99
    morpholine 1189.1
    tert-butylamine 677.58
    n-dodecanol 368.15
    dimethoxymethane 641.08
    ethylene carbonate 799.09
    cyrene 524.41
    2-ethoxyethyl acetate 750.84
    2-ethylhexyl acetate 995.53
    1,2,4-trichlorobenzene 1203.35
    4-methylpyridine 1276.07
    dibutyl ether 807.76
    2,6-dimethyl-4-heptanol 446.97
    DEF 799.82
    dimethyl isosorbide 884.61
    tetrachloroethylene 1348.7
    eugenol 576.71
    triacetin 767.09
    span 80 605.57
    1,4-butanediol 228.2
    1,1-dichloroethane 1408.04
    2-methyl-1-pentanol 637.75
    methyl formate 360.07
    2-methyl-1-butanol 732.01
    n-decane 275.33
    butyronitrile 795.61
    3,7-dimethyl-1-octanol 678.44
    1-chlorooctane 705.82
    1-chlorotetradecane 316.08
    n-nonane 300.44
    undecane 205.23
    tert-butylcyclohexane 375.89
    cyclooctane 305.58
    cyclopentanol 854.72
    tetrahydropyran 1385.99
    tert-amyl methyl ether 862.46
    2,5,8-trioxanonane 712.44
    1-hexene 767.85
    2-isopropoxyethanol 483.88
    2,2,2-trifluoroethanol 203.69
    methyl butyrate 847.46

    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