1,3-Dioxolane, 2-(2-phenylethenyl)-

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  • Identifiers

    CAS number
    247219-77-8

    Molecular formula
    C11H12O2

    SMILES
    C1COC(O1)C=CC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 91.29%
    Spicy 86.31%
    Cinnamon 79.67%
    Warm 50.41%
    Balsamic 48.56%
    Powdery 27.96%
    Almond 25.88%
    Bitter 25.39%
    Honey 24.8%
    Herbal 24.69%

     

    Flavor
    Sweet 57.92%
    Floral 52.19%
    Bitter 48.57%
    Green 41.02%
    Spicy 34.72%
    Cinnamon 33.38%
    Balsam 32.91%
    Spice 32.75%
    Woody 31.6%
    Herbal 30.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.54 (weak acid)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point

    • 122.15 ˚C est.

  • Synonyms

    • DTXSID2063971
    • RefChem:414881
    • DTXCID9042093
    • 1,3-Dioxolane, 2-(2-phenylethenyl)-
    • SCHEMBL3257590
    • 247219-77-8
    • 247219-77-8

  • Applications

    The compound 1,3-Dioxolane, 2-(2-phenylethenyl)- (CAS 247219-77-8) is used as a synthetic intermediate in organic synthesis; as a protecting-group precursor for carbonyl compounds (acetals) in complex multi-step routes; as a monomer or co-monomer for vinyl polymers, enabling incorporation of an aryl-ethylene pendant into the polymer backbone for coatings, adhesives, and specialty plastics; as a building block for specialty polymers and functional materials such as resins and coatings in electronics-related applications; and may be explored as a precursor in fragrance-related chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 157.19
    methanol 172.73
    isopropanol 62.48
    water 0.43
    ethyl acetate 217.54
    n-propanol 101.22
    acetone 99.31
    n-butanol 76.78
    acetonitrile 159.11
    DMF 90.27
    toluene 142.82
    isobutanol 51.15
    1,4-dioxane 437.89
    methyl acetate 155.54
    THF 303.95
    2-butanone 119.43
    n-pentanol 63.04
    sec-butanol 57.51
    n-hexane 12.09
    ethylene glycol 80.85
    NMP 78.06
    cyclohexane 27.89
    DMSO 291.73
    n-butyl acetate 75.89
    n-octanol 23.17
    chloroform 787.02
    n-propyl acetate 83.51
    acetic acid 161.04
    dichloromethane 781.24
    cyclohexanone 122.11
    propylene glycol 86.15
    isopropyl acetate 84.21
    DMAc 166.89
    2-ethoxyethanol 175.62
    isopentanol 61.84
    n-heptane 12.42
    ethyl formate 73.22
    1,2-dichloroethane 396.14
    n-hexanol 58.76
    2-methoxyethanol 228.92
    isobutyl acetate 57.87
    tetrachloromethane 56.19
    n-pentyl acetate 34.53
    transcutol 612.51
    n-heptanol 23.5
    ethylbenzene 55.24
    MIBK 62.31
    2-propoxyethanol 142.64
    tert-butanol 76.33
    MTBE 88.76
    2-butoxyethanol 64.34
    propionic acid 100.62
    o-xylene 69.31
    formic acid 76.05
    diethyl ether 220.06
    m-xylene 70.56
    p-xylene 56.21
    chlorobenzene 130.46
    dimethyl carbonate 81.32
    n-octane 4.44
    formamide 113.86
    cyclopentanone 131.82
    2-pentanone 90.48
    anisole 131.58
    cyclopentyl methyl ether 126.69
    gamma-butyrolactone 180.51
    1-methoxy-2-propanol 145.9
    pyridine 347.83
    3-pentanone 100.33
    furfural 196.61
    n-dodecane 4.65
    diethylene glycol 150.98
    diisopropyl ether 42.88
    tert-amyl alcohol 58.98
    acetylacetone 137.49
    n-hexadecane 5.32
    acetophenone 102.14
    methyl propionate 137.7
    isopentyl acetate 75.37
    trichloroethylene 647.85
    n-nonanol 25.5
    cyclohexanol 65.71
    benzyl alcohol 92.33
    2-ethylhexanol 42.66
    isooctanol 21.77
    dipropyl ether 85.15
    1,2-dichlorobenzene 109.38
    ethyl lactate 52.61
    propylene carbonate 110.32
    n-methylformamide 68.31
    2-pentanol 46.0
    n-pentane 11.96
    1-propoxy-2-propanol 91.53
    1-methoxy-2-propyl acetate 113.04
    2-(2-methoxypropoxy) propanol 108.95
    mesitylene 41.7
    ε-caprolactone 118.6
    p-cymene 34.38
    epichlorohydrin 338.74
    1,1,1-trichloroethane 235.46
    2-aminoethanol 111.94
    morpholine-4-carbaldehyde 188.29
    sulfolane 182.36
    2,2,4-trimethylpentane 9.01
    2-methyltetrahydrofuran 179.56
    n-hexyl acetate 51.33
    isooctane 6.63
    2-(2-butoxyethoxy)ethanol 132.63
    sec-butyl acetate 61.9
    tert-butyl acetate 81.14
    decalin 16.71
    glycerin 120.3
    diglyme 268.25
    acrylic acid 105.79
    isopropyl myristate 33.54
    n-butyric acid 110.61
    acetyl acetate 134.8
    di(2-ethylhexyl) phthalate 37.16
    ethyl propionate 89.82
    nitromethane 228.61
    1,2-diethoxyethane 166.37
    benzonitrile 92.64
    trioctyl phosphate 21.05
    1-bromopropane 190.15
    gamma-valerolactone 177.84
    n-decanol 20.85
    triethyl phosphate 52.78
    4-methyl-2-pentanol 33.09
    propionitrile 109.84
    vinylene carbonate 114.04
    1,1,2-trichlorotrifluoroethane 232.2
    DMS 87.33
    cumene 36.26
    2-octanol 13.2
    2-hexanone 67.08
    octyl acetate 34.8
    limonene 44.72
    1,2-dimethoxyethane 239.44
    ethyl orthosilicate 51.47
    tributyl phosphate 30.35
    diacetone alcohol 84.72
    N,N-dimethylaniline 80.46
    acrylonitrile 140.98
    aniline 138.77
    1,3-propanediol 108.08
    bromobenzene 159.37
    dibromomethane 447.64
    1,1,2,2-tetrachloroethane 481.36
    2-methyl-cyclohexyl acetate 69.99
    tetrabutyl urea 38.85
    diisobutyl methanol 32.59
    2-phenylethanol 72.6
    styrene 80.32
    dioctyl adipate 57.48
    dimethyl sulfate 106.86
    ethyl butyrate 82.07
    methyl lactate 70.41
    butyl lactate 36.23
    diethyl carbonate 71.71
    propanediol butyl ether 57.21
    triethyl orthoformate 69.38
    p-tert-butyltoluene 31.89
    methyl 4-tert-butylbenzoate 77.93
    morpholine 375.58
    tert-butylamine 48.35
    n-dodecanol 18.16
    dimethoxymethane 180.67
    ethylene carbonate 95.83
    cyrene 85.93
    2-ethoxyethyl acetate 81.15
    2-ethylhexyl acetate 61.04
    1,2,4-trichlorobenzene 139.11
    4-methylpyridine 169.2
    dibutyl ether 51.43
    2,6-dimethyl-4-heptanol 32.59
    DEF 118.93
    dimethyl isosorbide 151.05
    tetrachloroethylene 297.35
    eugenol 73.51
    triacetin 97.21
    span 80 68.92
    1,4-butanediol 46.98
    1,1-dichloroethane 283.45
    2-methyl-1-pentanol 58.07
    methyl formate 59.02
    2-methyl-1-butanol 57.28
    n-decane 6.74
    butyronitrile 82.95
    3,7-dimethyl-1-octanol 34.92
    1-chlorooctane 25.66
    1-chlorotetradecane 14.29
    n-nonane 5.9
    undecane 5.44
    tert-butylcyclohexane 13.26
    cyclooctane 11.59
    cyclopentanol 56.62
    tetrahydropyran 261.78
    tert-amyl methyl ether 71.49
    2,5,8-trioxanonane 206.12
    1-hexene 45.61
    2-isopropoxyethanol 105.94
    2,2,2-trifluoroethanol 63.49
    methyl butyrate 89.37

    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