1,3-Dioxane, 4-methyl-2-(2-phenylethenyl)-

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  • Identifiers

    CAS number
    5420-98-4

    Molecular formula
    C13H16O2

    SMILES
    CC1CCOC(O1)/C=C/C2=CC=CC=C2

  • Odor profile

    Fragrance
    Sweet 87.6%
    Spicy 81.59%
    Cinnamon 71.05%
    Warm 48.23%
    Balsamic 43.66%
    Floral 36.86%
    Herbal 34.02%
    Powdery 29.21%
    Aromatic 28.22%
    Anisic 25.79%

     

    Flavor
    Floral 54.29%
    Sweet 52.76%
    Green 52.56%
    Bitter 46.66%
    Spicy 36.89%
    Woody 35.87%
    Spice 33.94%
    Herbal 32.06%
    Fresh 29.18%
    Balsam 28.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.49 (neutral)

    Molecular weight
    204.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 128.58 ˚C est.

  • Synonyms

    • 5420-98-4
    • 1,3-Dioxane, 4-methyl-2-(2-phenylethenyl)-
    • Cinnamaldehyde-1,3-butylene glycol acetal
    • 4-Methyl-2-styryl-1,3-dioxane
    • m-Dioxane, 4-methyl-2-styryl-
    • NSC 6624
    • 4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
    • Cinnamic aldehyde butyleneglycol acetal
    • AI3-22609
    • 4-methyl-2-(2-phenylvinyl)-1,3-dioxane
    • DTXSID40883490
    • 4-methyl-2-(2-phenylethenyl)-1,3-dioxane
    • NSC6624
    • DTXCID101023018
    • NSC-6624
    • AKOS040749883

  • Applications

    1,3-Dioxane, 4-methyl-2-(2-phenylethenyl)- is mainly utilized as a specialty intermediate and fragrance-related material. In perfumery and cosmetics, it can serve as an aroma component and/or fixative, helping to modulate scent profiles and volatility. In household products, it may be employed as a fragrance additive in cleaners, detergents, and air fresheners. In industrial manufacturing, it can function as an intermediate in organic synthesis and as a solvent or co-solvent for formulation work, subject to regulatory constraints. In polymers/plastics and coatings/inks, it may be explored as a reactive precursor or functionalized monomer or fragrance modifier for specialty polymers or surface coatings. Overall, its role is typically that of a fragrance-related intermediate or processing aid, with applications limited by local regulations and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 256.72
    methanol 216.42
    isopropanol 129.15
    water 0.23
    ethyl acetate 441.84
    n-propanol 181.86
    acetone 226.37
    n-butanol 179.35
    acetonitrile 248.46
    DMF 125.5
    toluene 244.3
    isobutanol 109.45
    1,4-dioxane 765.08
    methyl acetate 271.86
    THF 525.21
    2-butanone 232.59
    n-pentanol 134.6
    sec-butanol 118.3
    n-hexane 36.51
    ethylene glycol 57.55
    NMP 96.3
    cyclohexane 69.64
    DMSO 450.54
    n-butyl acetate 223.45
    n-octanol 46.41
    chloroform 1197.56
    n-propyl acetate 163.59
    acetic acid 247.98
    dichloromethane 1226.08
    cyclohexanone 261.07
    propylene glycol 80.26
    isopropyl acetate 188.08
    DMAc 223.16
    2-ethoxyethanol 257.61
    isopentanol 141.61
    n-heptane 24.36
    ethyl formate 120.66
    1,2-dichloroethane 792.38
    n-hexanol 153.08
    2-methoxyethanol 310.19
    isobutyl acetate 117.65
    tetrachloromethane 93.72
    n-pentyl acetate 86.34
    transcutol 1357.22
    n-heptanol 47.9
    ethylbenzene 86.4
    MIBK 128.5
    2-propoxyethanol 280.87
    tert-butanol 155.41
    MTBE 221.77
    2-butoxyethanol 119.28
    propionic acid 136.17
    o-xylene 106.73
    formic acid 65.39
    diethyl ether 584.35
    m-xylene 118.62
    p-xylene 91.95
    chlorobenzene 238.81
    dimethyl carbonate 109.84
    n-octane 8.54
    formamide 95.57
    cyclopentanone 222.93
    2-pentanone 199.2
    anisole 187.65
    cyclopentyl methyl ether 242.84
    gamma-butyrolactone 274.98
    1-methoxy-2-propanol 229.82
    pyridine 469.76
    3-pentanone 201.68
    furfural 266.0
    n-dodecane 8.83
    diethylene glycol 213.01
    diisopropyl ether 100.48
    tert-amyl alcohol 124.5
    acetylacetone 269.74
    n-hexadecane 10.13
    acetophenone 153.49
    methyl propionate 236.91
    isopentyl acetate 192.28
    trichloroethylene 1055.37
    n-nonanol 49.28
    cyclohexanol 144.03
    benzyl alcohol 129.83
    2-ethylhexanol 97.45
    isooctanol 41.56
    dipropyl ether 180.9
    1,2-dichlorobenzene 203.95
    ethyl lactate 77.02
    propylene carbonate 164.92
    n-methylformamide 75.78
    2-pentanol 109.53
    n-pentane 33.46
    1-propoxy-2-propanol 189.94
    1-methoxy-2-propyl acetate 223.9
    2-(2-methoxypropoxy) propanol 186.73
    mesitylene 70.98
    ε-caprolactone 229.79
    p-cymene 56.9
    epichlorohydrin 563.49
    1,1,1-trichloroethane 418.47
    2-aminoethanol 106.47
    morpholine-4-carbaldehyde 261.42
    sulfolane 252.29
    2,2,4-trimethylpentane 18.28
    2-methyltetrahydrofuran 343.55
    n-hexyl acetate 127.93
    isooctane 14.58
    2-(2-butoxyethoxy)ethanol 251.44
    sec-butyl acetate 122.99
    tert-butyl acetate 168.67
    decalin 31.95
    glycerin 108.56
    diglyme 469.35
    acrylic acid 116.01
    isopropyl myristate 64.9
    n-butyric acid 210.06
    acetyl acetate 247.74
    di(2-ethylhexyl) phthalate 66.59
    ethyl propionate 161.06
    nitromethane 314.07
    1,2-diethoxyethane 453.35
    benzonitrile 150.89
    trioctyl phosphate 39.82
    1-bromopropane 397.07
    gamma-valerolactone 295.11
    n-decanol 40.33
    triethyl phosphate 87.95
    4-methyl-2-pentanol 71.02
    propionitrile 176.16
    vinylene carbonate 162.17
    1,1,2-trichlorotrifluoroethane 299.02
    DMS 159.5
    cumene 57.34
    2-octanol 27.95
    2-hexanone 137.43
    octyl acetate 72.32
    limonene 80.22
    1,2-dimethoxyethane 369.3
    ethyl orthosilicate 86.29
    tributyl phosphate 63.35
    diacetone alcohol 143.35
    N,N-dimethylaniline 110.05
    acrylonitrile 177.65
    aniline 208.25
    1,3-propanediol 153.05
    bromobenzene 300.56
    dibromomethane 787.06
    1,1,2,2-tetrachloroethane 846.93
    2-methyl-cyclohexyl acetate 124.67
    tetrabutyl urea 73.5
    diisobutyl methanol 61.75
    2-phenylethanol 132.06
    styrene 125.04
    dioctyl adipate 105.57
    dimethyl sulfate 133.44
    ethyl butyrate 164.75
    methyl lactate 88.69
    butyl lactate 76.18
    diethyl carbonate 127.28
    propanediol butyl ether 106.51
    triethyl orthoformate 126.71
    p-tert-butyltoluene 53.29
    methyl 4-tert-butylbenzoate 117.64
    morpholine 658.65
    tert-butylamine 109.4
    n-dodecanol 34.68
    dimethoxymethane 278.5
    ethylene carbonate 153.25
    cyrene 119.92
    2-ethoxyethyl acetate 185.07
    2-ethylhexyl acetate 155.57
    1,2,4-trichlorobenzene 236.31
    4-methylpyridine 302.44
    dibutyl ether 128.66
    2,6-dimethyl-4-heptanol 61.75
    DEF 211.21
    dimethyl isosorbide 253.05
    tetrachloroethylene 496.99
    eugenol 114.8
    triacetin 175.82
    span 80 127.98
    1,4-butanediol 66.26
    1,1-dichloroethane 521.36
    2-methyl-1-pentanol 122.64
    methyl formate 63.64
    2-methyl-1-butanol 124.35
    n-decane 13.06
    butyronitrile 168.15
    3,7-dimethyl-1-octanol 68.19
    1-chlorooctane 53.26
    1-chlorotetradecane 26.54
    n-nonane 11.88
    undecane 10.36
    tert-butylcyclohexane 26.12
    cyclooctane 24.06
    cyclopentanol 95.92
    tetrahydropyran 554.49
    tert-amyl methyl ether 150.42
    2,5,8-trioxanonane 343.87
    1-hexene 122.45
    2-isopropoxyethanol 172.3
    2,2,2-trifluoroethanol 68.75
    methyl butyrate 170.37

    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