2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxolane

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  • Identifiers

    CAS number
    66408-78-4

    Molecular formula
    C12H20O2

    SMILES
    CC(=CCCC(=CC1OCCO1)C)C

  • Odor profile

    Fragrance
    Citrus 67.85%
    Floral 66.79%
    Lemon 59.21%
    Fresh 55.67%
    Sweet 55.29%
    Herbal 41.9%
    Green 37.37%
    Aldehydic 34.84%
    Clean 34.29%
    Rose 31.69%

     

    Flavor
    Green 61.97%
    Floral 52.35%
    Herbal 48.82%
    Fresh 43.94%
    Flower 32.25%
    Waxy 31.78%
    Spicy 31.21%
    Geranium 27.06%
    Spice 26.55%
    Fatty 25.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.22 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 90.22 ˚C est.

  • Synonyms

    • 66408-78-4
    • 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
    • Citral ethylene glycol acetal
    • 1,3-DIOXOLANE, 2-(2,6-DIMETHYL-1,5-HEPTADIENYL)-
    • 2-(2,6-Dimethyl-1,5-heptadienyl)-1,3-dioxolane
    • SCHEMBL873529
    • DTXSID4070459
    • KSDZVTNRVWBTFN-UHFFFAOYSA-N
    • 2-((E)-2,6-DIMETHYL-HEPTA-1,5-DIENYL)-[1,3]DIOXOLANE
    • NS00012105

  • Applications

    2-(2,6-Dimethylhepta-1,5-dienyl)-1,3-dioxolane (CAS 66408-78-4) is typically used as a synthetic intermediate and building block in fragrance chemistry and cosmetics, where it may serve as a precursor to aroma compounds or as a fragrance note in formulations. It can also function as a dienic building block for specialty polymers and coatings, enabling cross-linking and functionalization in industrial manufacturing. In household products, it may be evaluated as a fragrance ingredient or odorant. The 1,3-dioxolane ring provides potential utility as a protecting-group-like handle in organic synthesis, making the compound of interest in research and development as an intermediate for further derivatization. Applications are formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 593.69
    methanol 426.14
    isopropanol 582.51
    water 0.85
    ethyl acetate 480.47
    n-propanol 522.15
    acetone 413.84
    n-butanol 531.17
    acetonitrile 357.15
    DMF 265.54
    toluene 314.0
    isobutanol 388.22
    1,4-dioxane 966.28
    methyl acetate 364.83
    THF 948.2
    2-butanone 375.75
    n-pentanol 365.49
    sec-butanol 522.75
    n-hexane 139.77
    ethylene glycol 105.2
    NMP 260.59
    cyclohexane 267.42
    DMSO 365.95
    n-butyl acetate 323.58
    n-octanol 268.37
    chloroform 1828.76
    n-propyl acetate 254.94
    acetic acid 424.18
    dichloromethane 1125.0
    cyclohexanone 483.37
    propylene glycol 297.92
    isopropyl acetate 291.25
    DMAc 340.91
    2-ethoxyethanol 446.28
    isopentanol 410.4
    n-heptane 114.12
    ethyl formate 206.01
    1,2-dichloroethane 521.65
    n-hexanol 497.81
    2-methoxyethanol 557.18
    isobutyl acetate 209.3
    tetrachloromethane 254.44
    n-pentyl acetate 214.73
    transcutol 1288.41
    n-heptanol 219.18
    ethylbenzene 172.54
    MIBK 227.03
    2-propoxyethanol 591.88
    tert-butanol 712.94
    MTBE 511.25
    2-butoxyethanol 327.51
    propionic acid 325.77
    o-xylene 201.96
    formic acid 89.02
    diethyl ether 555.33
    m-xylene 225.67
    p-xylene 228.91
    chlorobenzene 307.98
    dimethyl carbonate 108.67
    n-octane 47.44
    formamide 106.25
    cyclopentanone 446.73
    2-pentanone 318.73
    anisole 301.49
    cyclopentyl methyl ether 450.49
    gamma-butyrolactone 425.86
    1-methoxy-2-propanol 528.03
    pyridine 526.36
    3-pentanone 256.03
    furfural 380.55
    n-dodecane 43.67
    diethylene glycol 350.96
    diisopropyl ether 183.69
    tert-amyl alcohol 501.48
    acetylacetone 313.52
    n-hexadecane 49.04
    acetophenone 247.74
    methyl propionate 289.85
    isopentyl acetate 304.53
    trichloroethylene 918.03
    n-nonanol 242.0
    cyclohexanol 514.24
    benzyl alcohol 254.85
    2-ethylhexanol 276.91
    isooctanol 177.89
    dipropyl ether 331.83
    1,2-dichlorobenzene 278.96
    ethyl lactate 174.02
    propylene carbonate 304.77
    n-methylformamide 134.8
    2-pentanol 422.68
    n-pentane 143.52
    1-propoxy-2-propanol 453.29
    1-methoxy-2-propyl acetate 348.04
    2-(2-methoxypropoxy) propanol 353.37
    mesitylene 152.06
    ε-caprolactone 439.55
    p-cymene 131.61
    epichlorohydrin 560.28
    1,1,1-trichloroethane 676.9
    2-aminoethanol 260.68
    morpholine-4-carbaldehyde 410.02
    sulfolane 397.85
    2,2,4-trimethylpentane 65.1
    2-methyltetrahydrofuran 708.47
    n-hexyl acetate 366.52
    isooctane 52.99
    2-(2-butoxyethoxy)ethanol 482.95
    sec-butyl acetate 213.56
    tert-butyl acetate 311.24
    decalin 91.83
    glycerin 267.34
    diglyme 719.97
    acrylic acid 229.95
    isopropyl myristate 171.96
    n-butyric acid 488.69
    acetyl acetate 295.34
    di(2-ethylhexyl) phthalate 148.03
    ethyl propionate 231.89
    nitromethane 360.13
    1,2-diethoxyethane 452.48
    benzonitrile 285.95
    trioctyl phosphate 113.08
    1-bromopropane 468.11
    gamma-valerolactone 511.43
    n-decanol 183.29
    triethyl phosphate 137.93
    4-methyl-2-pentanol 211.29
    propionitrile 328.16
    vinylene carbonate 279.45
    1,1,2-trichlorotrifluoroethane 502.81
    DMS 243.25
    cumene 131.26
    2-octanol 168.07
    2-hexanone 253.87
    octyl acetate 209.64
    limonene 197.18
    1,2-dimethoxyethane 554.94
    ethyl orthosilicate 143.11
    tributyl phosphate 135.41
    diacetone alcohol 319.08
    N,N-dimethylaniline 204.34
    acrylonitrile 283.25
    aniline 328.93
    1,3-propanediol 339.13
    bromobenzene 342.14
    dibromomethane 854.59
    1,1,2,2-tetrachloroethane 901.36
    2-methyl-cyclohexyl acetate 234.7
    tetrabutyl urea 154.64
    diisobutyl methanol 161.42
    2-phenylethanol 260.96
    styrene 203.58
    dioctyl adipate 225.08
    dimethyl sulfate 133.91
    ethyl butyrate 257.85
    methyl lactate 182.97
    butyl lactate 197.15
    diethyl carbonate 189.58
    propanediol butyl ether 364.93
    triethyl orthoformate 209.81
    p-tert-butyltoluene 135.23
    methyl 4-tert-butylbenzoate 256.92
    morpholine 1006.84
    tert-butylamine 486.88
    n-dodecanol 148.75
    dimethoxymethane 314.01
    ethylene carbonate 261.81
    cyrene 243.07
    2-ethoxyethyl acetate 289.13
    2-ethylhexyl acetate 243.86
    1,2,4-trichlorobenzene 334.76
    4-methylpyridine 461.07
    dibutyl ether 300.44
    2,6-dimethyl-4-heptanol 161.42
    DEF 280.84
    dimethyl isosorbide 435.59
    tetrachloroethylene 537.76
    eugenol 240.97
    triacetin 364.59
    span 80 353.93
    1,4-butanediol 177.9
    1,1-dichloroethane 701.48
    2-methyl-1-pentanol 288.24
    methyl formate 105.27
    2-methyl-1-butanol 369.33
    n-decane 72.26
    butyronitrile 391.61
    3,7-dimethyl-1-octanol 250.46
    1-chlorooctane 187.46
    1-chlorotetradecane 91.32
    n-nonane 71.8
    undecane 53.31
    tert-butylcyclohexane 86.68
    cyclooctane 92.16
    cyclopentanol 394.73
    tetrahydropyran 1036.52
    tert-amyl methyl ether 341.0
    2,5,8-trioxanonane 513.55
    1-hexene 297.67
    2-isopropoxyethanol 341.63
    2,2,2-trifluoroethanol 126.32
    methyl butyrate 266.62

    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