1,3-Dioxolane, 4,5-dimethyl-2-phenyl-

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  • Identifiers

    CAS number
    4359-31-3

    Molecular formula
    C11H14O2

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

  • Odor profile

    Fragrance
    Floral 79.19%
    Fruity 76.34%
    Sweet 54.34%
    Cherry 39.62%
    Almond 38.37%
    Green 34.29%
    Anisic 31.59%
    Herbal 30.82%
    Fresh 30.58%
    Aromatic 29.99%

     

    Flavor
    Sweet 64.45%
    Bitter 58.66%
    Woody 54.71%
    Floral 39.46%
    Green 38.56%
    Herbal 32.43%
    Spicy 28.41%
    Earthy 28.37%
    Nutty 27.8%
    Musty 26.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.21 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 91.98 ˚C est.

  • Synonyms

    • 1,3-Dioxolane, 4,5-dimethyl-2-phenyl-
    • 4359-31-3
    • DTXSID40278180
    • 4,5-Dimethyl-2-phenyl-1,3-dioxolane
    • Benzaldehyde, cyclic 1,2-dimethylethylene acetal
    • NSC6576
    • SCHEMBL1245102
    • 1, 4,5-dimethyl-2-phenyl-
    • DTXCID80229338
    • DTXSID60863375
    • NSC-6576
    • MFCD32068504
    • Benzaldehyde,2-dimethylethylene acetal
    • SY261829
    • 4,5-Dimethyl-2-phenyl-1,3-dioxolane #
    • NS00122793

  • Applications

    1,3-Dioxolane, 4,5-dimethyl-2-phenyl- is primarily employed as a building block and carbonyl-protecting group in organic synthesis, commonly used to acetalize and protect carbonyl functionality during multi-step sequences. It often serves as an intermediate in the manufacture of pharmaceuticals and specialty chemicals, and as a precursor for polymer-related materials and specialized substrates. Additionally, it may be used as a starting material in coating and ink formulations in certain industrial processes, and in research and development of formulations and process concepts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 440.55
    methanol 391.77
    isopropanol 350.65
    water 8.26
    ethyl acetate 430.68
    n-propanol 361.84
    acetone 406.03
    n-butanol 349.36
    acetonitrile 588.59
    DMF 362.3
    toluene 247.98
    isobutanol 298.86
    1,4-dioxane 783.25
    methyl acetate 405.62
    THF 628.58
    2-butanone 370.74
    n-pentanol 284.49
    sec-butanol 329.37
    n-hexane 61.48
    ethylene glycol 116.87
    NMP 275.41
    cyclohexane 109.21
    DMSO 384.36
    n-butyl acetate 313.26
    n-octanol 196.98
    chloroform 2631.25
    n-propyl acetate 326.82
    acetic acid 418.32
    dichloromethane 2078.41
    cyclohexanone 480.49
    propylene glycol 154.18
    isopropyl acetate 244.03
    DMAc 427.06
    2-ethoxyethanol 407.04
    isopentanol 303.24
    n-heptane 51.89
    ethyl formate 391.77
    1,2-dichloroethane 847.25
    n-hexanol 263.34
    2-methoxyethanol 446.45
    isobutyl acetate 225.2
    tetrachloromethane 333.26
    n-pentyl acetate 200.76
    transcutol 790.21
    n-heptanol 172.01
    ethylbenzene 200.98
    MIBK 195.11
    2-propoxyethanol 349.29
    tert-butanol 391.74
    MTBE 309.2
    2-butoxyethanol 264.32
    propionic acid 324.93
    o-xylene 175.05
    formic acid 138.71
    diethyl ether 343.82
    m-xylene 166.26
    p-xylene 284.65
    chlorobenzene 415.73
    dimethyl carbonate 167.31
    n-octane 32.62
    formamide 231.1
    cyclopentanone 442.08
    2-pentanone 294.67
    anisole 349.08
    cyclopentyl methyl ether 265.67
    gamma-butyrolactone 571.38
    1-methoxy-2-propanol 317.42
    pyridine 622.69
    3-pentanone 244.44
    furfural 604.02
    n-dodecane 32.19
    diethylene glycol 261.65
    diisopropyl ether 104.38
    tert-amyl alcohol 323.88
    acetylacetone 347.13
    n-hexadecane 35.33
    acetophenone 319.53
    methyl propionate 273.67
    isopentyl acetate 271.6
    trichloroethylene 1556.9
    n-nonanol 171.79
    cyclohexanol 284.73
    benzyl alcohol 284.07
    2-ethylhexanol 183.49
    isooctanol 146.12
    dipropyl ether 206.52
    1,2-dichlorobenzene 390.05
    ethyl lactate 163.74
    propylene carbonate 468.03
    n-methylformamide 239.57
    2-pentanol 227.29
    n-pentane 53.71
    1-propoxy-2-propanol 253.83
    1-methoxy-2-propyl acetate 243.46
    2-(2-methoxypropoxy) propanol 235.39
    mesitylene 111.92
    ε-caprolactone 459.27
    p-cymene 117.41
    epichlorohydrin 695.92
    1,1,1-trichloroethane 793.54
    2-aminoethanol 216.33
    morpholine-4-carbaldehyde 423.26
    sulfolane 491.73
    2,2,4-trimethylpentane 38.64
    2-methyltetrahydrofuran 443.34
    n-hexyl acetate 290.47
    isooctane 26.65
    2-(2-butoxyethoxy)ethanol 312.96
    sec-butyl acetate 219.01
    tert-butyl acetate 218.75
    decalin 61.52
    glycerin 170.08
    diglyme 601.53
    acrylic acid 292.8
    isopropyl myristate 133.07
    n-butyric acid 439.42
    acetyl acetate 329.82
    di(2-ethylhexyl) phthalate 122.38
    ethyl propionate 274.19
    nitromethane 547.32
    1,2-diethoxyethane 335.6
    benzonitrile 402.75
    trioctyl phosphate 91.24
    1-bromopropane 512.77
    gamma-valerolactone 552.8
    n-decanol 131.25
    triethyl phosphate 144.56
    4-methyl-2-pentanol 148.04
    propionitrile 462.46
    vinylene carbonate 503.75
    1,1,2-trichlorotrifluoroethane 486.51
    DMS 229.04
    cumene 140.8
    2-octanol 130.88
    2-hexanone 277.94
    octyl acetate 164.01
    limonene 140.12
    1,2-dimethoxyethane 630.5
    ethyl orthosilicate 136.34
    tributyl phosphate 115.56
    diacetone alcohol 217.17
    N,N-dimethylaniline 228.49
    acrylonitrile 517.36
    aniline 298.62
    1,3-propanediol 272.94
    bromobenzene 479.57
    dibromomethane 1338.73
    1,1,2,2-tetrachloroethane 1233.77
    2-methyl-cyclohexyl acetate 197.54
    tetrabutyl urea 136.63
    diisobutyl methanol 112.03
    2-phenylethanol 232.18
    styrene 254.12
    dioctyl adipate 181.94
    dimethyl sulfate 212.15
    ethyl butyrate 270.87
    methyl lactate 162.95
    butyl lactate 153.54
    diethyl carbonate 223.43
    propanediol butyl ether 221.82
    triethyl orthoformate 190.21
    p-tert-butyltoluene 105.77
    methyl 4-tert-butylbenzoate 235.23
    morpholine 623.8
    tert-butylamine 291.67
    n-dodecanol 107.56
    dimethoxymethane 304.95
    ethylene carbonate 430.96
    cyrene 221.85
    2-ethoxyethyl acetate 248.02
    2-ethylhexyl acetate 209.81
    1,2,4-trichlorobenzene 427.64
    4-methylpyridine 534.07
    dibutyl ether 223.51
    2,6-dimethyl-4-heptanol 112.03
    DEF 320.06
    dimethyl isosorbide 340.25
    tetrachloroethylene 800.55
    eugenol 242.45
    triacetin 265.54
    span 80 205.59
    1,4-butanediol 165.15
    1,1-dichloroethane 944.94
    2-methyl-1-pentanol 262.33
    methyl formate 230.75
    2-methyl-1-butanol 281.08
    n-decane 50.54
    butyronitrile 497.3
    3,7-dimethyl-1-octanol 167.08
    1-chlorooctane 156.12
    1-chlorotetradecane 73.05
    n-nonane 50.05
    undecane 38.51
    tert-butylcyclohexane 57.02
    cyclooctane 38.04
    cyclopentanol 274.07
    tetrahydropyran 540.35
    tert-amyl methyl ether 219.3
    2,5,8-trioxanonane 390.87
    1-hexene 213.47
    2-isopropoxyethanol 284.5
    2,2,2-trifluoroethanol 211.25
    methyl butyrate 395.14

    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