2-(4-Methoxyphenyl)-4,5-dimethyl-1,3-dioxolane

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  • Identifiers

    CAS number
    5420-89-3

    Molecular formula
    C12H16O3

    SMILES
    CC1C(OC(O1)C2=CC=C(C=C2)OC)C

  • Odor profile

    Fragrance
    Floral 82.37%
    Sweet 50.75%
    Anisic 49.8%
    Vanilla 39.5%
    Aromatic 39.06%
    Herbal 38.23%
    Hay 35.55%
    Hawthorn 32.06%
    Powdery 31.55%
    Almond 28.1%

     

    Flavor
    Sweet 58.66%
    Bitter 56.44%
    Woody 42.95%
    Floral 34.8%
    Earthy 29.56%
    Herbal 28.65%
    Nutty 28.31%
    Musty 28.27%
    Green 27.93%
    Caramel 26.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.49 (neutral)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 107.75 ˚C est.

  • Synonyms

    • 5420-89-3
    • 2-(4-methoxyphenyl)-4,5-dimethyl-1,3-dioxolane
    • NSC6610
    • DTXSID30278199
    • NSC-6610

  • Applications

    Chemical: 2-(4-Methoxyphenyl)-4,5-dimethyl-1,3-dioxolane (CAS 5420-89-3) is mainly used as an organic synthesis intermediate and as a protected carbonyl equivalent (aryl acetal). Typical applications include building blocks for fragrance intermediates in perfumery; fragrance-related components in cosmetics and personal care; specialty intermediates for coatings, inks, and cleaning products; precursors for polymers/plastics in niche formulations; and synthesis intermediates for pharmaceutical or agrochemical development, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 271.61
    methanol 288.63
    isopropanol 218.98
    water 5.11
    ethyl acetate 534.37
    n-propanol 206.87
    acetone 565.6
    n-butanol 213.15
    acetonitrile 679.5
    DMF 487.5
    toluene 165.13
    isobutanol 175.04
    1,4-dioxane 815.68
    methyl acetate 473.51
    THF 730.55
    2-butanone 398.07
    n-pentanol 179.76
    sec-butanol 217.44
    n-hexane 22.95
    ethylene glycol 118.03
    NMP 353.78
    cyclohexane 40.73
    DMSO 943.91
    n-butyl acetate 260.92
    n-octanol 80.41
    chloroform 2178.94
    n-propyl acetate 326.2
    acetic acid 568.2
    dichloromethane 2115.25
    cyclohexanone 435.76
    propylene glycol 153.37
    isopropyl acetate 285.05
    DMAc 561.64
    2-ethoxyethanol 481.41
    isopentanol 216.64
    n-heptane 14.42
    ethyl formate 328.13
    1,2-dichloroethane 972.12
    n-hexanol 132.05
    2-methoxyethanol 541.86
    isobutyl acetate 199.96
    tetrachloromethane 260.33
    n-pentyl acetate 139.3
    transcutol 1176.99
    n-heptanol 73.16
    ethylbenzene 112.71
    MIBK 203.65
    2-propoxyethanol 298.11
    tert-butanol 358.55
    MTBE 353.35
    2-butoxyethanol 182.23
    propionic acid 303.04
    o-xylene 125.22
    formic acid 283.52
    diethyl ether 356.79
    m-xylene 117.32
    p-xylene 164.64
    chlorobenzene 344.71
    dimethyl carbonate 226.63
    n-octane 7.93
    formamide 508.51
    cyclopentanone 486.65
    2-pentanone 295.97
    anisole 324.1
    cyclopentyl methyl ether 272.65
    gamma-butyrolactone 671.71
    1-methoxy-2-propanol 377.16
    pyridine 496.57
    3-pentanone 259.56
    furfural 740.66
    n-dodecane 8.51
    diethylene glycol 303.45
    diisopropyl ether 103.45
    tert-amyl alcohol 314.69
    acetylacetone 522.96
    n-hexadecane 9.8
    acetophenone 312.52
    methyl propionate 322.48
    isopentyl acetate 238.86
    trichloroethylene 1825.69
    n-nonanol 78.18
    cyclohexanol 202.78
    benzyl alcohol 230.84
    2-ethylhexanol 99.52
    isooctanol 70.85
    dipropyl ether 131.9
    1,2-dichlorobenzene 365.11
    ethyl lactate 168.64
    propylene carbonate 434.55
    n-methylformamide 296.58
    2-pentanol 157.07
    n-pentane 17.08
    1-propoxy-2-propanol 207.27
    1-methoxy-2-propyl acetate 285.56
    2-(2-methoxypropoxy) propanol 252.56
    mesitylene 78.25
    ε-caprolactone 416.94
    p-cymene 71.26
    epichlorohydrin 900.2
    1,1,1-trichloroethane 815.59
    2-aminoethanol 189.72
    morpholine-4-carbaldehyde 611.62
    sulfolane 708.9
    2,2,4-trimethylpentane 21.43
    2-methyltetrahydrofuran 444.06
    n-hexyl acetate 190.17
    isooctane 13.15
    2-(2-butoxyethoxy)ethanol 314.11
    sec-butyl acetate 217.9
    tert-butyl acetate 304.49
    decalin 29.62
    glycerin 247.62
    diglyme 691.09
    acrylic acid 335.24
    isopropyl myristate 89.34
    n-butyric acid 367.3
    acetyl acetate 477.06
    di(2-ethylhexyl) phthalate 94.32
    ethyl propionate 268.0
    nitromethane 1087.84
    1,2-diethoxyethane 343.36
    benzonitrile 294.32
    trioctyl phosphate 61.73
    1-bromopropane 393.34
    gamma-valerolactone 625.81
    n-decanol 58.15
    triethyl phosphate 147.61
    4-methyl-2-pentanol 104.57
    propionitrile 331.03
    vinylene carbonate 458.08
    1,1,2-trichlorotrifluoroethane 703.42
    DMS 260.09
    cumene 87.62
    2-octanol 56.62
    2-hexanone 250.29
    octyl acetate 103.92
    limonene 88.23
    1,2-dimethoxyethane 727.4
    ethyl orthosilicate 134.99
    tributyl phosphate 92.98
    diacetone alcohol 284.73
    N,N-dimethylaniline 197.52
    acrylonitrile 450.31
    aniline 259.76
    1,3-propanediol 277.71
    bromobenzene 393.15
    dibromomethane 1202.69
    1,1,2,2-tetrachloroethane 1354.56
    2-methyl-cyclohexyl acetate 179.43
    tetrabutyl urea 104.1
    diisobutyl methanol 70.73
    2-phenylethanol 173.98
    styrene 153.87
    dioctyl adipate 148.41
    dimethyl sulfate 366.95
    ethyl butyrate 229.01
    methyl lactate 197.72
    butyl lactate 125.13
    diethyl carbonate 207.92
    propanediol butyl ether 182.27
    triethyl orthoformate 175.57
    p-tert-butyltoluene 66.53
    methyl 4-tert-butylbenzoate 217.02
    morpholine 668.54
    tert-butylamine 214.1
    n-dodecanol 47.12
    dimethoxymethane 411.49
    ethylene carbonate 384.51
    cyrene 250.0
    2-ethoxyethyl acetate 258.97
    2-ethylhexyl acetate 186.17
    1,2,4-trichlorobenzene 425.88
    4-methylpyridine 411.69
    dibutyl ether 125.8
    2,6-dimethyl-4-heptanol 70.73
    DEF 328.24
    dimethyl isosorbide 365.66
    tetrachloroethylene 833.47
    eugenol 203.37
    triacetin 296.9
    span 80 169.97
    1,4-butanediol 146.33
    1,1-dichloroethane 879.41
    2-methyl-1-pentanol 191.7
    methyl formate 309.9
    2-methyl-1-butanol 197.38
    n-decane 13.99
    butyronitrile 303.13
    3,7-dimethyl-1-octanol 96.89
    1-chlorooctane 63.86
    1-chlorotetradecane 29.11
    n-nonane 12.65
    undecane 10.39
    tert-butylcyclohexane 27.88
    cyclooctane 14.82
    cyclopentanol 200.62
    tetrahydropyran 448.54
    tert-amyl methyl ether 244.25
    2,5,8-trioxanonane 460.21
    1-hexene 92.14
    2-isopropoxyethanol 318.96
    2,2,2-trifluoroethanol 341.45
    methyl butyrate 346.84

    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