1,3-Dioxolane, 4-phenyl-2-(phenylmethyl)-

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  • Identifiers

    CAS number
    4362-20-3

    Molecular formula
    C16H16O2

    SMILES
    C1C(OC(O1)CC2=CC=CC=C2)C3=CC=CC=C3

  • Odor profile

    Fragrance
    Rose 72.65%
    Green 71.9%
    Floral 67.22%
    Sweet 65.7%
    Honey 55.31%
    Hyacinth 53.26%
    Earthy 40.55%
    Metallic 39.13%
    Geranium 36.9%
    Leafy 36.74%

     

    Flavor
    Sweet 66.26%
    Green 58.0%
    Bitter 54.31%
    Floral 52.97%
    Rose 42.11%
    Hyacinth 34.01%
    Honey 33.11%
    Woody 30.86%
    Earthy 30.5%
    Balsam 29.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.12 (neutral)

    Molecular weight
    240.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 152.44 ˚C est.

  • Synonyms

    • 2-Benzyl-4-phenyl-1,3-dioxolane
    • 4362-20-3
    • 1,3-Dioxolane, 4-phenyl-2-(phenylmethyl)-
    • Phenylacetaldehyde phenylethylene glycol acetal
    • EINECS 224-448-3
    • NSC 45662
    • 1,3-Dioxolane, 2-benzyl-4-phenyl-
    • DTXSID00884064
    • NSC45662
    • 1, 2-benzyl-4-phenyl-
    • WIAZXGHBTOASSQ-UHFFFAOYSA-N
    • DTXCID401023536
    • NSC-45662
    • 1,3-Dioxolane, 2-benzyl-4-phenyl-(8CI)
    • NS00045272

  • Applications

    Applications of 1,3-Dioxolane, 4-phenyl-2-(phenylmethyl)- (CAS 4362-20-3) are mainly as an intermediate and protecting group in organic synthesis; in pharmaceuticals and agrochemicals, it is used as a building block to prepare complex derivatives. In the fragrance and flavor industries, dioxolane derivatives can serve as precursors to aromatic compounds. In polymers and plastics, as well as in coatings and inks, it can function as a building block for polymerizable systems or as a precursor for additives used in coatings and printing formulations. In consumer cleaning and household products, it may appear as an intermediate or formulation component, depending on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.46
    methanol 40.11
    isopropanol 21.16
    water 0.21
    ethyl acetate 111.05
    n-propanol 35.19
    acetone 54.66
    n-butanol 29.57
    acetonitrile 71.67
    DMF 44.51
    toluene 63.75
    isobutanol 20.92
    1,4-dioxane 300.42
    methyl acetate 84.23
    THF 280.29
    2-butanone 70.42
    n-pentanol 31.61
    sec-butanol 23.06
    n-hexane 5.98
    ethylene glycol 19.97
    NMP 38.42
    cyclohexane 15.77
    DMSO 180.75
    n-butyl acetate 58.34
    n-octanol 17.94
    chloroform 593.89
    n-propyl acetate 62.98
    acetic acid 68.41
    dichloromethane 611.92
    cyclohexanone 105.64
    propylene glycol 27.56
    isopropyl acetate 61.79
    DMAc 104.47
    2-ethoxyethanol 86.72
    isopentanol 29.99
    n-heptane 9.52
    ethyl formate 52.7
    1,2-dichloroethane 380.15
    n-hexanol 37.3
    2-methoxyethanol 89.41
    isobutyl acetate 55.37
    tetrachloromethane 30.41
    n-pentyl acetate 32.2
    transcutol 368.9
    n-heptanol 19.24
    ethylbenzene 43.2
    MIBK 56.72
    2-propoxyethanol 87.75
    tert-butanol 32.77
    MTBE 37.92
    2-butoxyethanol 48.88
    propionic acid 47.91
    o-xylene 38.86
    formic acid 19.09
    diethyl ether 85.38
    m-xylene 41.84
    p-xylene 46.05
    chlorobenzene 96.3
    dimethyl carbonate 56.82
    n-octane 4.74
    formamide 36.34
    cyclopentanone 112.32
    2-pentanone 59.76
    anisole 99.34
    cyclopentyl methyl ether 81.34
    gamma-butyrolactone 147.24
    1-methoxy-2-propanol 75.51
    pyridine 188.7
    3-pentanone 65.8
    furfural 143.06
    n-dodecane 5.25
    diethylene glycol 79.38
    diisopropyl ether 24.22
    tert-amyl alcohol 27.09
    acetylacetone 108.18
    n-hexadecane 5.96
    acetophenone 84.47
    methyl propionate 74.94
    isopentyl acetate 62.18
    trichloroethylene 495.5
    n-nonanol 21.19
    cyclohexanol 36.7
    benzyl alcohol 62.28
    2-ethylhexanol 32.21
    isooctanol 19.88
    dipropyl ether 64.86
    1,2-dichlorobenzene 101.67
    ethyl lactate 41.93
    propylene carbonate 99.61
    n-methylformamide 28.12
    2-pentanol 21.15
    n-pentane 3.88
    1-propoxy-2-propanol 63.76
    1-methoxy-2-propyl acetate 84.66
    2-(2-methoxypropoxy) propanol 78.14
    mesitylene 29.8
    ε-caprolactone 93.49
    p-cymene 29.1
    epichlorohydrin 282.89
    1,1,1-trichloroethane 169.17
    2-aminoethanol 31.2
    morpholine-4-carbaldehyde 108.38
    sulfolane 142.5
    2,2,4-trimethylpentane 4.75
    2-methyltetrahydrofuran 107.87
    n-hexyl acetate 44.32
    isooctane 4.08
    2-(2-butoxyethoxy)ethanol 98.46
    sec-butyl acetate 52.17
    tert-butyl acetate 62.73
    decalin 12.28
    glycerin 45.08
    diglyme 220.86
    acrylic acid 49.42
    isopropyl myristate 31.62
    n-butyric acid 66.29
    acetyl acetate 87.09
    di(2-ethylhexyl) phthalate 32.91
    ethyl propionate 68.99
    nitromethane 122.69
    1,2-diethoxyethane 107.68
    benzonitrile 70.83
    trioctyl phosphate 20.37
    1-bromopropane 121.85
    gamma-valerolactone 139.06
    n-decanol 18.17
    triethyl phosphate 47.37
    4-methyl-2-pentanol 21.47
    propionitrile 60.49
    vinylene carbonate 101.76
    1,1,2-trichlorotrifluoroethane 139.92
    DMS 69.75
    cumene 32.05
    2-octanol 12.07
    2-hexanone 58.64
    octyl acetate 32.12
    limonene 34.86
    1,2-dimethoxyethane 175.17
    ethyl orthosilicate 43.46
    tributyl phosphate 27.47
    diacetone alcohol 61.94
    N,N-dimethylaniline 62.21
    acrylonitrile 78.73
    aniline 62.26
    1,3-propanediol 42.48
    bromobenzene 115.76
    dibromomethane 341.78
    1,1,2,2-tetrachloroethane 394.38
    2-methyl-cyclohexyl acetate 63.71
    tetrabutyl urea 35.17
    diisobutyl methanol 27.25
    2-phenylethanol 54.26
    styrene 58.2
    dioctyl adipate 53.72
    dimethyl sulfate 77.84
    ethyl butyrate 69.28
    methyl lactate 44.63
    butyl lactate 34.41
    diethyl carbonate 64.45
    propanediol butyl ether 39.0
    triethyl orthoformate 58.95
    p-tert-butyltoluene 26.82
    methyl 4-tert-butylbenzoate 73.1
    morpholine 206.74
    tert-butylamine 21.21
    n-dodecanol 16.57
    dimethoxymethane 109.43
    ethylene carbonate 88.88
    cyrene 69.08
    2-ethoxyethyl acetate 61.62
    2-ethylhexyl acetate 48.87
    1,2,4-trichlorobenzene 109.76
    4-methylpyridine 92.71
    dibutyl ether 44.86
    2,6-dimethyl-4-heptanol 27.25
    DEF 60.13
    dimethyl isosorbide 132.97
    tetrachloroethylene 217.33
    eugenol 65.2
    triacetin 79.06
    span 80 52.38
    1,4-butanediol 21.76
    1,1-dichloroethane 197.3
    2-methyl-1-pentanol 34.26
    methyl formate 31.43
    2-methyl-1-butanol 24.09
    n-decane 7.4
    butyronitrile 50.56
    3,7-dimethyl-1-octanol 26.91
    1-chlorooctane 23.85
    1-chlorotetradecane 14.19
    n-nonane 6.49
    undecane 5.99
    tert-butylcyclohexane 9.96
    cyclooctane 6.32
    cyclopentanol 32.42
    tetrahydropyran 165.7
    tert-amyl methyl ether 34.66
    2,5,8-trioxanonane 168.08
    1-hexene 25.41
    2-isopropoxyethanol 61.56
    2,2,2-trifluoroethanol 32.76
    methyl butyrate 73.33

    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