4,4,6-Trimethyl-2-phenyl-1,3-dioxane

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  • Identifiers

    CAS number
    2568-06-1

    Molecular formula
    C13H18O2

    SMILES
    CC1CC(OC(O1)C2=CC=CC=C2)(C)C

  • Odor profile

    Fragrance
    Green 81.04%
    Herbal 78.88%
    Floral 59.27%
    Fresh 43.95%
    Spicy 38.76%
    Rose 38.62%
    Leafy 38.19%
    Mint 36.6%
    Earthy 35.78%
    Woody 34.04%

     

    Flavor
    Green 62.45%
    Sweet 46.24%
    Earthy 43.87%
    Woody 43.76%
    Herbal 41.34%
    Bitter 40.63%
    Floral 34.94%
    Spicy 31.75%
    Musty 30.27%
    Nutty 29.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.5 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 98.24 ˚C est.

  • Synonyms

    • 4,4,6-Trimethyl-2-phenyl-1,3-dioxane
    • 2568-06-1
    • EINECS 219-905-9
    • NSC 25466
    • AI3-05722
    • 1,3-Dioxane, 4,4,6-trimethyl-2-phenyl-
    • NSC25466
    • SCHEMBL23302265
    • DTXSID10948560
    • OHAGICGDFQGNHT-UHFFFAOYSA-N
    • HMS1617G17
    • CCG-24826
    • NSC-25466
    • STK000359
    • AKOS001683855
    • AKOS022009503
    • 1,3-Dioxane,4,4,6-trimethyl-2-phenyl-
    • 4,4,6-Trimethyl-2-phenyl-1,3-dioxanato
    • DS-008338
    • NS00045549
    • 219-905-9

  • Applications

    4,4,6-Trimethyl-2-phenyl-1,3-dioxane is typically considered as a fragrance ingredient or odorant for perfumes and cosmetics; it may also serve as an organic synthesis intermediate for preparing more complex compounds. In industrial manufacturing, it can be used as a solvent or co-solvent in certain processes, and it may be incorporated into coatings or inks as a fragrance additive. Additionally, it can function as a stabilizer or processing aid in specialty polymers under appropriate formulation conditions. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 296.68
    methanol 283.76
    isopropanol 270.88
    water 1.69
    ethyl acetate 270.27
    n-propanol 290.03
    acetone 277.77
    n-butanol 298.4
    acetonitrile 206.48
    DMF 278.21
    toluene 267.83
    isobutanol 254.98
    1,4-dioxane 657.17
    methyl acetate 271.43
    THF 665.67
    2-butanone 268.09
    n-pentanol 235.76
    sec-butanol 256.96
    n-hexane 147.45
    ethylene glycol 75.77
    NMP 315.38
    cyclohexane 249.86
    DMSO 272.76
    n-butyl acetate 306.08
    n-octanol 248.67
    chloroform 1404.35
    n-propyl acetate 186.88
    acetic acid 283.23
    dichloromethane 874.69
    cyclohexanone 474.03
    propylene glycol 138.75
    isopropyl acetate 188.09
    DMAc 347.44
    2-ethoxyethanol 202.57
    isopentanol 266.33
    n-heptane 111.27
    ethyl formate 175.33
    1,2-dichloroethane 459.63
    n-hexanol 458.63
    2-methoxyethanol 288.42
    isobutyl acetate 174.08
    tetrachloromethane 163.76
    n-pentyl acetate 191.36
    transcutol 776.57
    n-heptanol 191.93
    ethylbenzene 161.32
    MIBK 175.66
    2-propoxyethanol 423.62
    tert-butanol 326.69
    MTBE 311.21
    2-butoxyethanol 229.04
    propionic acid 247.88
    o-xylene 174.79
    formic acid 76.51
    diethyl ether 322.11
    m-xylene 184.38
    p-xylene 213.29
    chlorobenzene 323.44
    dimethyl carbonate 111.54
    n-octane 48.22
    formamide 72.86
    cyclopentanone 406.26
    2-pentanone 224.62
    anisole 224.21
    cyclopentyl methyl ether 380.93
    gamma-butyrolactone 429.46
    1-methoxy-2-propanol 259.49
    pyridine 386.61
    3-pentanone 220.76
    furfural 344.31
    n-dodecane 43.31
    diethylene glycol 270.45
    diisopropyl ether 132.5
    tert-amyl alcohol 271.91
    acetylacetone 232.4
    n-hexadecane 48.11
    acetophenone 207.05
    methyl propionate 225.32
    isopentyl acetate 281.5
    trichloroethylene 786.73
    n-nonanol 211.38
    cyclohexanol 378.08
    benzyl alcohol 187.44
    2-ethylhexanol 262.78
    isooctanol 154.88
    dipropyl ether 260.96
    1,2-dichlorobenzene 289.56
    ethyl lactate 125.73
    propylene carbonate 329.77
    n-methylformamide 116.03
    2-pentanol 222.11
    n-pentane 118.07
    1-propoxy-2-propanol 311.54
    1-methoxy-2-propyl acetate 274.78
    2-(2-methoxypropoxy) propanol 252.37
    mesitylene 126.35
    ε-caprolactone 404.37
    p-cymene 120.49
    epichlorohydrin 449.62
    1,1,1-trichloroethane 473.79
    2-aminoethanol 149.1
    morpholine-4-carbaldehyde 377.32
    sulfolane 423.13
    2,2,4-trimethylpentane 58.26
    2-methyltetrahydrofuran 499.77
    n-hexyl acetate 337.32
    isooctane 41.24
    2-(2-butoxyethoxy)ethanol 337.64
    sec-butyl acetate 154.79
    tert-butyl acetate 199.85
    decalin 89.8
    glycerin 166.35
    diglyme 491.79
    acrylic acid 194.29
    isopropyl myristate 149.9
    n-butyric acid 320.3
    acetyl acetate 207.03
    di(2-ethylhexyl) phthalate 145.85
    ethyl propionate 165.5
    nitromethane 272.62
    1,2-diethoxyethane 290.74
    benzonitrile 246.3
    trioctyl phosphate 109.87
    1-bromopropane 376.35
    gamma-valerolactone 445.74
    n-decanol 162.04
    triethyl phosphate 125.47
    4-methyl-2-pentanol 147.26
    propionitrile 208.24
    vinylene carbonate 309.74
    1,1,2-trichlorotrifluoroethane 344.63
    DMS 239.2
    cumene 126.1
    2-octanol 143.98
    2-hexanone 216.25
    octyl acetate 190.96
    limonene 172.15
    1,2-dimethoxyethane 374.85
    ethyl orthosilicate 122.17
    tributyl phosphate 139.58
    diacetone alcohol 203.76
    N,N-dimethylaniline 167.75
    acrylonitrile 195.77
    aniline 235.66
    1,3-propanediol 192.65
    bromobenzene 361.64
    dibromomethane 659.07
    1,1,2,2-tetrachloroethane 751.65
    2-methyl-cyclohexyl acetate 213.47
    tetrabutyl urea 158.86
    diisobutyl methanol 129.48
    2-phenylethanol 240.44
    styrene 185.33
    dioctyl adipate 191.57
    dimethyl sulfate 152.35
    ethyl butyrate 198.73
    methyl lactate 136.27
    butyl lactate 168.1
    diethyl carbonate 156.13
    propanediol butyl ether 255.26
    triethyl orthoformate 168.73
    p-tert-butyltoluene 119.64
    methyl 4-tert-butylbenzoate 218.8
    morpholine 562.67
    tert-butylamine 243.4
    n-dodecanol 129.89
    dimethoxymethane 235.5
    ethylene carbonate 284.41
    cyrene 204.12
    2-ethoxyethyl acetate 222.83
    2-ethylhexyl acetate 242.74
    1,2,4-trichlorobenzene 319.73
    4-methylpyridine 367.1
    dibutyl ether 247.76
    2,6-dimethyl-4-heptanol 129.48
    DEF 243.48
    dimethyl isosorbide 350.34
    tetrachloroethylene 475.1
    eugenol 196.36
    triacetin 289.67
    span 80 254.07
    1,4-butanediol 103.65
    1,1-dichloroethane 482.79
    2-methyl-1-pentanol 229.84
    methyl formate 120.52
    2-methyl-1-butanol 260.87
    n-decane 70.05
    butyronitrile 250.93
    3,7-dimethyl-1-octanol 215.0
    1-chlorooctane 197.52
    1-chlorotetradecane 88.76
    n-nonane 74.72
    undecane 53.16
    tert-butylcyclohexane 80.93
    cyclooctane 86.4
    cyclopentanol 310.87
    tetrahydropyran 658.72
    tert-amyl methyl ether 237.37
    2,5,8-trioxanonane 368.83
    1-hexene 277.8
    2-isopropoxyethanol 187.95
    2,2,2-trifluoroethanol 111.27
    methyl butyrate 205.13

    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