2-Phenyl-1,3-dioxolane

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  • Identifiers

    CAS number
    936-51-6

    Molecular formula
    C9H10O2

    SMILES
    C1COC(O1)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 76.79%
    Floral 59.31%
    Fruity 53.72%
    Almond 50.08%
    Rose 45.52%
    Aromatic 40.96%
    Bitter 40.27%
    Cherry 39.05%
    Earthy 34.63%
    Anisic 34.5%

     

    Flavor
    Sweet 79.62%
    Bitter 64.84%
    Woody 52.07%
    Floral 37.39%
    Herbal 29.7%
    Almond 29.64%
    Tobacco 29.19%
    Warm 27.37%
    Powdery 27.19%
    Naphthalic 27.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.27 (weak acid)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 89.96 ˚C est.

  • Synonyms

    • 2-Phenyl-1,3-dioxolane
    • 936-51-6
    • 1,3-Dioxolane, 2-phenyl-
    • Benzaldehyde ethylene acetal
    • EINECS 213-315-5
    • 2-phenyl-[1,3]dioxolane
    • DTXSID00239479
    • NSC 97528
    • 1,3-Dioxolane,2-phenyl-
    • MFCD00030564
    • 2-Phenyl-1,3-dioxolan
    • SCHEMBL366283
    • DTXCID70161970
    • 2-Phenyl-1,3-dioxolane, 99%
    • NSC97528
    • NSC-97528
    • AKOS009144561
    • GS-5568
    • DA-40371
    • CS-0069678
    • NS00041881
    • H10024
    • 213-315-5

  • Applications

    2-Phenyl-1,3-dioxolane (CAS 936-51-6) is primarily employed as an organic synthesis intermediate, providing a scaffold for derivatives of the dioxolane ring and acetal-containing motifs. It can be used as a protecting group for aldehydes or ketones in multi-step syntheses. As a building block, it may feed into the production of specialty polymers or plastics with dioxolane-containing segments. In some industrial formulations, it can function as a solvent or co-solvent for reactions and processing, and may appear as a component in coating systems or surface-treatment formulations. Applications will depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 233.83
    methanol 239.52
    isopropanol 138.06
    water 4.77
    ethyl acetate 147.58
    n-propanol 172.03
    acetone 216.58
    n-butanol 139.21
    acetonitrile 308.27
    DMF 376.68
    toluene 115.95
    isobutanol 119.63
    1,4-dioxane 304.58
    methyl acetate 174.26
    THF 330.79
    2-butanone 174.23
    n-pentanol 110.42
    sec-butanol 120.78
    n-hexane 22.48
    ethylene glycol 123.63
    NMP 298.0
    cyclohexane 51.6
    DMSO 498.92
    n-butyl acetate 124.37
    n-octanol 98.85
    chloroform 1015.1
    n-propyl acetate 134.63
    acetic acid 298.09
    dichloromethane 1187.41
    cyclohexanone 255.87
    propylene glycol 105.33
    isopropyl acetate 82.96
    DMAc 293.64
    2-ethoxyethanol 190.06
    isopentanol 97.61
    n-heptane 44.45
    ethyl formate 183.46
    1,2-dichloroethane 479.93
    n-hexanol 122.85
    2-methoxyethanol 245.32
    isobutyl acetate 86.42
    tetrachloromethane 131.9
    n-pentyl acetate 87.25
    transcutol 372.87
    n-heptanol 79.86
    ethylbenzene 85.33
    MIBK 86.21
    2-propoxyethanol 177.83
    tert-butanol 129.71
    MTBE 86.41
    2-butoxyethanol 127.71
    propionic acid 202.31
    o-xylene 92.92
    formic acid 95.57
    diethyl ether 123.44
    m-xylene 83.09
    p-xylene 106.13
    chlorobenzene 209.27
    dimethyl carbonate 101.73
    n-octane 20.48
    formamide 159.2
    cyclopentanone 293.71
    2-pentanone 126.84
    anisole 165.81
    cyclopentyl methyl ether 148.37
    gamma-butyrolactone 372.33
    1-methoxy-2-propanol 170.02
    pyridine 345.9
    3-pentanone 119.46
    furfural 362.55
    n-dodecane 20.22
    diethylene glycol 174.08
    diisopropyl ether 42.71
    tert-amyl alcohol 107.9
    acetylacetone 153.02
    n-hexadecane 22.33
    acetophenone 168.71
    methyl propionate 141.94
    isopentyl acetate 101.03
    trichloroethylene 798.6
    n-nonanol 86.26
    cyclohexanol 131.25
    benzyl alcohol 138.32
    2-ethylhexanol 87.05
    isooctanol 67.46
    dipropyl ether 130.75
    1,2-dichlorobenzene 209.81
    ethyl lactate 106.5
    propylene carbonate 247.58
    n-methylformamide 205.32
    2-pentanol 83.36
    n-pentane 27.28
    1-propoxy-2-propanol 136.05
    1-methoxy-2-propyl acetate 108.79
    2-(2-methoxypropoxy) propanol 141.43
    mesitylene 58.3
    ε-caprolactone 215.38
    p-cymene 72.77
    epichlorohydrin 406.23
    1,1,1-trichloroethane 353.62
    2-aminoethanol 160.09
    morpholine-4-carbaldehyde 306.87
    sulfolane 454.41
    2,2,4-trimethylpentane 15.85
    2-methyltetrahydrofuran 221.03
    n-hexyl acetate 129.34
    isooctane 13.51
    2-(2-butoxyethoxy)ethanol 169.75
    sec-butyl acetate 78.19
    tert-butyl acetate 83.92
    decalin 29.59
    glycerin 150.4
    diglyme 343.35
    acrylic acid 212.6
    isopropyl myristate 70.64
    n-butyric acid 198.38
    acetyl acetate 112.07
    di(2-ethylhexyl) phthalate 71.92
    ethyl propionate 118.53
    nitromethane 338.49
    1,2-diethoxyethane 132.9
    benzonitrile 200.72
    trioctyl phosphate 54.76
    1-bromopropane 238.63
    gamma-valerolactone 284.98
    n-decanol 69.58
    triethyl phosphate 78.08
    4-methyl-2-pentanol 52.24
    propionitrile 226.89
    vinylene carbonate 251.64
    1,1,2-trichlorotrifluoroethane 294.65
    DMS 106.78
    cumene 67.29
    2-octanol 56.78
    2-hexanone 126.68
    octyl acetate 89.2
    limonene 90.34
    1,2-dimethoxyethane 297.9
    ethyl orthosilicate 70.57
    tributyl phosphate 62.91
    diacetone alcohol 108.1
    N,N-dimethylaniline 132.17
    acrylonitrile 295.23
    aniline 148.35
    1,3-propanediol 153.39
    bromobenzene 241.88
    dibromomethane 739.16
    1,1,2,2-tetrachloroethane 568.28
    2-methyl-cyclohexyl acetate 106.06
    tetrabutyl urea 92.1
    diisobutyl methanol 59.18
    2-phenylethanol 117.63
    styrene 111.5
    dioctyl adipate 104.36
    dimethyl sulfate 158.51
    ethyl butyrate 133.35
    methyl lactate 108.55
    butyl lactate 84.1
    diethyl carbonate 110.13
    propanediol butyl ether 120.85
    triethyl orthoformate 95.51
    p-tert-butyltoluene 64.93
    methyl 4-tert-butylbenzoate 139.51
    morpholine 274.85
    tert-butylamine 95.07
    n-dodecanol 59.2
    dimethoxymethane 211.24
    ethylene carbonate 197.94
    cyrene 154.37
    2-ethoxyethyl acetate 106.39
    2-ethylhexyl acetate 82.22
    1,2,4-trichlorobenzene 222.11
    4-methylpyridine 248.53
    dibutyl ether 106.9
    2,6-dimethyl-4-heptanol 59.18
    DEF 189.43
    dimethyl isosorbide 199.96
    tetrachloroethylene 388.91
    eugenol 136.18
    triacetin 147.71
    span 80 118.94
    1,4-butanediol 104.27
    1,1-dichloroethane 411.19
    2-methyl-1-pentanol 90.78
    methyl formate 182.9
    2-methyl-1-butanol 100.94
    n-decane 29.44
    butyronitrile 200.82
    3,7-dimethyl-1-octanol 83.85
    1-chlorooctane 89.05
    1-chlorotetradecane 44.17
    n-nonane 29.54
    undecane 23.73
    tert-butylcyclohexane 24.59
    cyclooctane 22.18
    cyclopentanol 162.45
    tetrahydropyran 230.66
    tert-amyl methyl ether 76.0
    2,5,8-trioxanonane 247.59
    1-hexene 71.54
    2-isopropoxyethanol 136.5
    2,2,2-trifluoroethanol 125.29
    methyl butyrate 169.7

    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