2,4-Dimethyl-2-phenyl-1,3-dioxolane

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  • Identifiers

    CAS number
    4359-30-2

    Molecular formula
    C11H14O2

    SMILES
    CC1COC(O1)(C)C2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 76.77%
    Fruity 70.75%
    Sweet 56.05%
    Green 52.21%
    Fresh 40.04%
    Woody 37.55%
    Herbal 37.53%
    Rose 30.23%
    Earthy 29.62%
    Cherry 28.7%

     

    Flavor
    Green 58.55%
    Sweet 55.03%
    Floral 45.36%
    Woody 44.51%
    Bitter 44.44%
    Earthy 43.82%
    Nutty 37.61%
    Musty 30.81%
    Spicy 30.68%
    Herbal 30.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.5 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 86.99 ˚C est.

  • Synonyms

    • 4359-30-2
    • 2,4-Dimethyl-2-phenyl-1,3-dioxolane
    • NSC6577
    • SCHEMBL5156026
    • DTXSID70963052
    • CIHKNVXTQCYONS-UHFFFAOYSA-N
    • NSC-6577
    • AKOS006295597
    • 1,3-Dioxolane, 2,4-dimethyl-2-phenyl-
    • 2,4-Dimethyl-2-phenyl-1,3-dioxolane #
    • NS00048212

  • Applications

    2,4-Dimethyl-2-phenyl-1,3-dioxolane (CAS number: 4359-30-2) is used primarily as an acetal protecting group for carbonyl compounds in organic synthesis, enabling selective transformations on aldehydes and ketones. It also serves as an intermediate or building block in the preparation of specialty chemicals, including fragrance- and flavor-related compounds, as well as materials for pharmaceutical and polymer applications. In addition, it can function as a reaction medium or solvent-like co-solvent in certain processing steps, and may act as a precursor in polymer chemistry for functional materials, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 548.47
    methanol 730.15
    isopropanol 396.99
    water 13.57
    ethyl acetate 408.55
    n-propanol 477.33
    acetone 347.44
    n-butanol 448.83
    acetonitrile 524.06
    DMF 439.87
    toluene 326.14
    isobutanol 374.06
    1,4-dioxane 905.75
    methyl acetate 378.49
    THF 703.61
    2-butanone 336.64
    n-pentanol 335.27
    sec-butanol 366.05
    n-hexane 99.34
    ethylene glycol 221.88
    NMP 419.02
    cyclohexane 184.29
    DMSO 446.6
    n-butyl acetate 287.29
    n-octanol 249.03
    chloroform 2187.55
    n-propyl acetate 254.09
    acetic acid 409.39
    dichloromethane 1889.11
    cyclohexanone 513.57
    propylene glycol 217.06
    isopropyl acetate 243.78
    DMAc 506.2
    2-ethoxyethanol 464.99
    isopentanol 371.18
    n-heptane 80.69
    ethyl formate 303.05
    1,2-dichloroethane 776.22
    n-hexanol 385.91
    2-methoxyethanol 574.03
    isobutyl acetate 194.77
    tetrachloromethane 316.76
    n-pentyl acetate 200.95
    transcutol 872.06
    n-heptanol 190.24
    ethylbenzene 201.51
    MIBK 221.43
    2-propoxyethanol 503.94
    tert-butanol 444.89
    MTBE 366.14
    2-butoxyethanol 272.73
    propionic acid 328.83
    o-xylene 210.97
    formic acid 193.76
    diethyl ether 472.63
    m-xylene 216.25
    p-xylene 245.42
    chlorobenzene 434.22
    dimethyl carbonate 192.53
    n-octane 41.42
    formamide 244.11
    cyclopentanone 463.76
    2-pentanone 290.83
    anisole 375.64
    cyclopentyl methyl ether 391.81
    gamma-butyrolactone 568.92
    1-methoxy-2-propanol 414.24
    pyridine 537.81
    3-pentanone 280.57
    furfural 523.36
    n-dodecane 42.73
    diethylene glycol 415.95
    diisopropyl ether 148.51
    tert-amyl alcohol 364.44
    acetylacetone 342.35
    n-hexadecane 47.47
    acetophenone 305.27
    methyl propionate 309.5
    isopentyl acetate 253.91
    trichloroethylene 1210.28
    n-nonanol 208.34
    cyclohexanol 397.11
    benzyl alcohol 285.07
    2-ethylhexanol 221.14
    isooctanol 159.8
    dipropyl ether 255.54
    1,2-dichlorobenzene 401.37
    ethyl lactate 165.62
    propylene carbonate 402.01
    n-methylformamide 271.19
    2-pentanol 285.87
    n-pentane 97.6
    1-propoxy-2-propanol 298.66
    1-methoxy-2-propyl acetate 267.31
    2-(2-methoxypropoxy) propanol 276.1
    mesitylene 146.02
    ε-caprolactone 475.82
    p-cymene 127.47
    epichlorohydrin 690.31
    1,1,1-trichloroethane 669.5
    2-aminoethanol 342.95
    morpholine-4-carbaldehyde 544.87
    sulfolane 558.51
    2,2,4-trimethylpentane 54.4
    2-methyltetrahydrofuran 543.43
    n-hexyl acetate 325.2
    isooctane 40.22
    2-(2-butoxyethoxy)ethanol 368.66
    sec-butyl acetate 194.67
    tert-butyl acetate 242.98
    decalin 84.69
    glycerin 275.8
    diglyme 627.62
    acrylic acid 283.97
    isopropyl myristate 150.7
    n-butyric acid 400.99
    acetyl acetate 320.48
    di(2-ethylhexyl) phthalate 139.14
    ethyl propionate 245.61
    nitromethane 494.64
    1,2-diethoxyethane 351.19
    benzonitrile 383.71
    trioctyl phosphate 103.09
    1-bromopropane 528.99
    gamma-valerolactone 569.51
    n-decanol 159.04
    triethyl phosphate 144.73
    4-methyl-2-pentanol 180.09
    propionitrile 415.96
    vinylene carbonate 449.04
    1,1,2-trichlorotrifluoroethane 454.67
    DMS 272.3
    cumene 158.25
    2-octanol 147.41
    2-hexanone 247.98
    octyl acetate 184.66
    limonene 168.85
    1,2-dimethoxyethane 658.48
    ethyl orthosilicate 139.01
    tributyl phosphate 125.81
    diacetone alcohol 247.53
    N,N-dimethylaniline 257.9
    acrylonitrile 443.35
    aniline 338.51
    1,3-propanediol 376.87
    bromobenzene 498.8
    dibromomethane 1166.48
    1,1,2,2-tetrachloroethane 994.43
    2-methyl-cyclohexyl acetate 205.74
    tetrabutyl urea 155.43
    diisobutyl methanol 123.91
    2-phenylethanol 271.24
    styrene 248.43
    dioctyl adipate 185.91
    dimethyl sulfate 269.05
    ethyl butyrate 242.79
    methyl lactate 188.68
    butyl lactate 155.1
    diethyl carbonate 198.62
    propanediol butyl ether 249.1
    triethyl orthoformate 173.44
    p-tert-butyltoluene 123.8
    methyl 4-tert-butylbenzoate 264.82
    morpholine 696.38
    tert-butylamine 351.02
    n-dodecanol 128.05
    dimethoxymethane 411.1
    ethylene carbonate 383.92
    cyrene 258.77
    2-ethoxyethyl acetate 250.71
    2-ethylhexyl acetate 210.17
    1,2,4-trichlorobenzene 446.04
    4-methylpyridine 524.39
    dibutyl ether 244.97
    2,6-dimethyl-4-heptanol 123.91
    DEF 349.67
    dimethyl isosorbide 377.45
    tetrachloroethylene 666.53
    eugenol 257.44
    triacetin 288.04
    span 80 225.62
    1,4-butanediol 222.25
    1,1-dichloroethane 774.33
    2-methyl-1-pentanol 308.8
    methyl formate 252.78
    2-methyl-1-butanol 358.1
    n-decane 63.57
    butyronitrile 436.85
    3,7-dimethyl-1-octanol 207.13
    1-chlorooctane 193.89
    1-chlorotetradecane 93.88
    n-nonane 63.17
    undecane 50.17
    tert-butylcyclohexane 75.57
    cyclooctane 65.67
    cyclopentanol 355.05
    tetrahydropyran 635.71
    tert-amyl methyl ether 280.26
    2,5,8-trioxanonane 462.19
    1-hexene 250.94
    2-isopropoxyethanol 332.42
    2,2,2-trifluoroethanol 193.21
    methyl butyrate 296.27

    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