1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,4,6-trimethyl-

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  • Identifiers

    CAS number
    68258-94-6

    Molecular formula
    C16H28O2

    SMILES
    CC1CC(OC(O1)/C=C(\C)/CCC=C(C)C)(C)C

  • Odor profile

    Fragrance
    Citrus 69.89%
    Herbal 68.83%
    Lemon 60.96%
    Fresh 46.59%
    Floral 46.55%
    Green 43.44%
    Sweet 38.21%
    Spicy 37.15%
    Woody 34.44%
    Grapefruit 32.61%

     

    Flavor
    Green 73.01%
    Floral 50.26%
    Herbal 43.87%
    Fresh 35.9%
    Flower 31.87%
    Tropical 31.85%
    Minty 31.17%
    Earthy 30.95%
    Wood 30.28%
    Woody 29.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.51 (weak base)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 105.41 ˚C est.

  • Synonyms

    • EINECS 269-498-7
    • 2-(2,6-Dimethyl-1,5-heptadienyl)-4,4,6-trimethyl-1,3-dioxane
    • 1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadienyl)-4,4,6-trimethyl-
    • 1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,4,6-trimethyl-
    • 68258-94-6
    • DTXSID30867547
    • 2-(2,6-Dimethylhepta-1,5-dienyl)-4,4,6-trimethyl-1,3-dioxane
    • DTXCID10815728
    • (E)-2-(2,6-dimethylhepta-1,5-dien-1-yl)-4,4,6-trimethyl-1,3-dioxane

  • Applications

    Chemical name: 1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4,4,6-trimethyl-; CAS 68258-94-6 is typically used as a fragrance ingredient in perfumery, where it may act as an odorant and, in some formulations, as a fixative to help stabilize fragrance notes; in cosmetics and personal care, it is commonly considered a fragrance component; in household and cleaning products, it can be added to impart or enhance scent; in industrial manufacturing, it may serve as an intermediate or additive in the synthesis of other fragrance compounds for fragrance applications; and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 569.09
    methanol 513.5
    isopropanol 471.47
    water 0.95
    ethyl acetate 563.78
    n-propanol 460.72
    acetone 353.51
    n-butanol 547.22
    acetonitrile 260.06
    DMF 289.34
    toluene 557.18
    isobutanol 400.97
    1,4-dioxane 1152.04
    methyl acetate 376.86
    THF 1353.54
    2-butanone 398.19
    n-pentanol 447.31
    sec-butanol 522.86
    n-hexane 392.92
    ethylene glycol 41.65
    NMP 452.47
    cyclohexane 662.35
    DMSO 272.3
    n-butyl acetate 623.27
    n-octanol 516.26
    chloroform 1654.71
    n-propyl acetate 402.19
    acetic acid 379.94
    dichloromethane 1027.6
    cyclohexanone 777.06
    propylene glycol 123.99
    isopropyl acetate 428.64
    DMAc 486.34
    2-ethoxyethanol 354.56
    isopentanol 506.07
    n-heptane 365.9
    ethyl formate 262.42
    1,2-dichloroethane 521.18
    n-hexanol 861.63
    2-methoxyethanol 466.06
    isobutyl acetate 357.54
    tetrachloromethane 280.88
    n-pentyl acetate 452.49
    transcutol 1588.36
    n-heptanol 396.11
    ethylbenzene 317.45
    MIBK 316.0
    2-propoxyethanol 783.51
    tert-butanol 558.78
    MTBE 696.44
    2-butoxyethanol 448.4
    propionic acid 288.81
    o-xylene 335.69
    formic acid 87.79
    diethyl ether 715.99
    m-xylene 381.8
    p-xylene 427.44
    chlorobenzene 480.17
    dimethyl carbonate 129.19
    n-octane 124.56
    formamide 86.32
    cyclopentanone 532.45
    2-pentanone 413.93
    anisole 374.74
    cyclopentyl methyl ether 842.93
    gamma-butyrolactone 504.0
    1-methoxy-2-propanol 461.93
    pyridine 611.49
    3-pentanone 364.23
    furfural 423.31
    n-dodecane 96.4
    diethylene glycol 329.4
    diisopropyl ether 334.4
    tert-amyl alcohol 586.23
    acetylacetone 357.51
    n-hexadecane 108.23
    acetophenone 326.6
    methyl propionate 357.18
    isopentyl acetate 586.12
    trichloroethylene 928.84
    n-nonanol 473.38
    cyclohexanol 716.87
    benzyl alcohol 285.81
    2-ethylhexanol 587.18
    isooctanol 318.78
    dipropyl ether 648.36
    1,2-dichlorobenzene 398.27
    ethyl lactate 194.14
    propylene carbonate 427.53
    n-methylformamide 146.51
    2-pentanol 460.36
    n-pentane 284.13
    1-propoxy-2-propanol 689.93
    1-methoxy-2-propyl acetate 529.05
    2-(2-methoxypropoxy) propanol 509.75
    mesitylene 255.68
    ε-caprolactone 732.49
    p-cymene 256.95
    epichlorohydrin 614.95
    1,1,1-trichloroethane 672.62
    2-aminoethanol 146.16
    morpholine-4-carbaldehyde 585.67
    sulfolane 474.69
    2,2,4-trimethylpentane 154.04
    2-methyltetrahydrofuran 1144.96
    n-hexyl acetate 756.97
    isooctane 106.68
    2-(2-butoxyethoxy)ethanol 669.21
    sec-butyl acetate 354.73
    tert-butyl acetate 441.35
    decalin 232.26
    glycerin 139.52
    diglyme 905.38
    acrylic acid 177.71
    isopropyl myristate 328.88
    n-butyric acid 560.81
    acetyl acetate 365.06
    di(2-ethylhexyl) phthalate 289.14
    ethyl propionate 354.19
    nitromethane 312.03
    1,2-diethoxyethane 691.63
    benzonitrile 340.16
    trioctyl phosphate 214.83
    1-bromopropane 579.38
    gamma-valerolactone 721.74
    n-decanol 349.62
    triethyl phosphate 234.09
    4-methyl-2-pentanol 305.71
    propionitrile 275.58
    vinylene carbonate 356.78
    1,1,2-trichlorotrifluoroethane 448.98
    DMS 371.26
    cumene 239.04
    2-octanol 340.3
    2-hexanone 400.43
    octyl acetate 416.65
    limonene 402.58
    1,2-dimethoxyethane 667.36
    ethyl orthosilicate 253.76
    tributyl phosphate 256.73
    diacetone alcohol 375.0
    N,N-dimethylaniline 297.17
    acrylonitrile 199.92
    aniline 403.15
    1,3-propanediol 265.1
    bromobenzene 551.09
    dibromomethane 861.91
    1,1,2,2-tetrachloroethane 857.51
    2-methyl-cyclohexyl acetate 439.41
    tetrabutyl urea 298.07
    diisobutyl methanol 277.84
    2-phenylethanol 422.12
    styrene 339.67
    dioctyl adipate 407.37
    dimethyl sulfate 135.37
    ethyl butyrate 434.13
    methyl lactate 165.02
    butyl lactate 344.58
    diethyl carbonate 303.17
    propanediol butyl ether 457.2
    triethyl orthoformate 373.94
    p-tert-butyltoluene 256.74
    methyl 4-tert-butylbenzoate 393.81
    morpholine 1155.93
    tert-butylamine 479.48
    n-dodecanol 273.44
    dimethoxymethane 384.53
    ethylene carbonate 350.09
    cyrene 326.88
    2-ethoxyethyl acetate 501.75
    2-ethylhexyl acetate 532.57
    1,2,4-trichlorobenzene 455.95
    4-methylpyridine 628.07
    dibutyl ether 618.54
    2,6-dimethyl-4-heptanol 277.84
    DEF 435.51
    dimethyl isosorbide 704.33
    tetrachloroethylene 578.83
    eugenol 332.54
    triacetin 569.3
    span 80 576.19
    1,4-butanediol 118.14
    1,1-dichloroethane 624.71
    2-methyl-1-pentanol 446.51
    methyl formate 114.97
    2-methyl-1-butanol 479.28
    n-decane 170.96
    butyronitrile 411.96
    3,7-dimethyl-1-octanol 466.45
    1-chlorooctane 385.28
    1-chlorotetradecane 177.4
    n-nonane 183.9
    undecane 120.36
    tert-butylcyclohexane 213.79
    cyclooctane 261.65
    cyclopentanol 499.14
    tetrahydropyran 1464.93
    tert-amyl methyl ether 555.2
    2,5,8-trioxanonane 672.67
    1-hexene 559.86
    2-isopropoxyethanol 327.39
    2,2,2-trifluoroethanol 103.73
    methyl butyrate 402.58

    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