1,3-Dioxane, 4,5,6-trimethyl-2-(phenylmethyl)-

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  • Identifiers

    CAS number
    65416-20-8

    Molecular formula
    C14H20O2

    SMILES
    CC1C(OC(OC1C)CC2=CC=CC=C2)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 87.37%
    Green 84.34%
    Herbal 54.73%
    Rose 47.78%
    Fresh 44.08%
    Hyacinth 40.13%
    Earthy 37.87%
    Sweet 37.06%
    Leafy 37.03%
    Woody 33.21%

     

    Flavor
    Green 72.06%
    Floral 45.77%
    Sweet 41.72%
    Earthy 39.26%
    Bitter 37.31%
    Herbal 34.43%
    Woody 30.86%
    Tropical 30.22%
    Spicy 26.65%
    Metallic 26.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.25 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 108.12 ˚C est.

  • Synonyms

    • 65416-20-8
    • 1,3-Dioxane, 4,5,6-trimethyl-2-(phenylmethyl)-
    • EINECS 265-759-4
    • DTXSID00886760
    • RefChem:414755
    • DTXCID901026080
    • 2-Benzyl-4,5,6-trimethyl-1,3-dioxane
    • SZDSPAWGINTJBP-UHFFFAOYSA-N
    • NS00013137
    • 65416-20-8

  • Applications

    1,3-Dioxane, 4,5,6-trimethyl-2-(phenylmethyl)- is primarily used as an intermediate in organic synthesis and as a fragrance/odorant precursor in perfumery; in industrial manufacturing it may function as a specialty solvent or processing aid, in cosmetics/personal care it can serve as a fragrance ingredient within formulations, and in polymers and coatings it may act as a reactive diluent or stabilizer in niche formulations, with occasional use as a solvent in coatings or inks; CAS number: 65416-20-8.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 410.06
    methanol 363.74
    isopropanol 262.82
    water 2.08
    ethyl acetate 666.65
    n-propanol 331.49
    acetone 315.68
    n-butanol 354.88
    acetonitrile 379.21
    DMF 205.65
    toluene 372.0
    isobutanol 225.33
    1,4-dioxane 1397.18
    methyl acetate 392.87
    THF 852.7
    2-butanone 323.8
    n-pentanol 254.93
    sec-butanol 229.73
    n-hexane 144.52
    ethylene glycol 47.06
    NMP 221.65
    cyclohexane 304.5
    DMSO 322.66
    n-butyl acetate 467.9
    n-octanol 119.49
    chloroform 2235.34
    n-propyl acetate 309.69
    acetic acid 438.39
    dichloromethane 1839.05
    cyclohexanone 574.43
    propylene glycol 67.9
    isopropyl acetate 353.05
    DMAc 324.26
    2-ethoxyethanol 349.35
    isopentanol 313.19
    n-heptane 79.83
    ethyl formate 247.72
    1,2-dichloroethane 1034.3
    n-hexanol 333.82
    2-methoxyethanol 381.43
    isobutyl acetate 228.54
    tetrachloromethane 292.5
    n-pentyl acetate 215.42
    transcutol 1384.02
    n-heptanol 124.69
    ethylbenzene 173.99
    MIBK 205.32
    2-propoxyethanol 448.81
    tert-butanol 327.84
    MTBE 431.26
    2-butoxyethanol 216.81
    propionic acid 258.98
    o-xylene 201.99
    formic acid 113.88
    diethyl ether 880.04
    m-xylene 212.8
    p-xylene 228.62
    chlorobenzene 478.17
    dimethyl carbonate 129.65
    n-octane 28.38
    formamide 158.0
    cyclopentanone 401.39
    2-pentanone 294.44
    anisole 298.09
    cyclopentyl methyl ether 434.35
    gamma-butyrolactone 514.4
    1-methoxy-2-propanol 263.67
    pyridine 645.62
    3-pentanone 295.84
    furfural 481.82
    n-dodecane 22.82
    diethylene glycol 262.06
    diisopropyl ether 206.84
    tert-amyl alcohol 245.17
    acetylacetone 352.42
    n-hexadecane 26.69
    acetophenone 250.31
    methyl propionate 308.07
    isopentyl acetate 392.1
    trichloroethylene 1416.67
    n-nonanol 122.33
    cyclohexanol 361.87
    benzyl alcohol 205.14
    2-ethylhexanol 203.58
    isooctanol 106.01
    dipropyl ether 368.13
    1,2-dichlorobenzene 413.28
    ethyl lactate 115.33
    propylene carbonate 357.27
    n-methylformamide 126.81
    2-pentanol 230.65
    n-pentane 112.93
    1-propoxy-2-propanol 309.59
    1-methoxy-2-propyl acetate 371.98
    2-(2-methoxypropoxy) propanol 240.56
    mesitylene 144.92
    ε-caprolactone 523.78
    p-cymene 114.11
    epichlorohydrin 764.57
    1,1,1-trichloroethane 814.95
    2-aminoethanol 121.03
    morpholine-4-carbaldehyde 437.63
    sulfolane 430.15
    2,2,4-trimethylpentane 47.62
    2-methyltetrahydrofuran 641.93
    n-hexyl acetate 278.2
    isooctane 33.03
    2-(2-butoxyethoxy)ethanol 344.31
    sec-butyl acetate 230.89
    tert-butyl acetate 309.79
    decalin 94.72
    glycerin 102.01
    diglyme 668.17
    acrylic acid 196.24
    isopropyl myristate 126.95
    n-butyric acid 460.08
    acetyl acetate 452.99
    di(2-ethylhexyl) phthalate 113.7
    ethyl propionate 271.24
    nitromethane 463.9
    1,2-diethoxyethane 693.05
    benzonitrile 296.81
    trioctyl phosphate 74.71
    1-bromopropane 631.74
    gamma-valerolactone 584.18
    n-decanol 91.55
    triethyl phosphate 157.47
    4-methyl-2-pentanol 138.61
    propionitrile 311.15
    vinylene carbonate 362.04
    1,1,2-trichlorotrifluoroethane 397.58
    DMS 260.45
    cumene 124.12
    2-octanol 82.12
    2-hexanone 249.22
    octyl acetate 144.4
    limonene 168.1
    1,2-dimethoxyethane 648.0
    ethyl orthosilicate 162.76
    tributyl phosphate 115.85
    diacetone alcohol 216.77
    N,N-dimethylaniline 188.35
    acrylonitrile 277.27
    aniline 337.71
    1,3-propanediol 220.38
    bromobenzene 564.99
    dibromomethane 1302.85
    1,1,2,2-tetrachloroethane 1303.76
    2-methyl-cyclohexyl acetate 239.67
    tetrabutyl urea 122.47
    diisobutyl methanol 117.74
    2-phenylethanol 233.16
    styrene 220.94
    dioctyl adipate 178.51
    dimethyl sulfate 161.38
    ethyl butyrate 318.63
    methyl lactate 104.2
    butyl lactate 145.37
    diethyl carbonate 233.17
    propanediol butyl ether 155.88
    triethyl orthoformate 245.11
    p-tert-butyltoluene 110.07
    methyl 4-tert-butylbenzoate 205.62
    morpholine 1030.87
    tert-butylamine 263.32
    n-dodecanol 72.08
    dimethoxymethane 316.38
    ethylene carbonate 363.15
    cyrene 180.79
    2-ethoxyethyl acetate 320.02
    2-ethylhexyl acetate 327.69
    1,2,4-trichlorobenzene 440.96
    4-methylpyridine 497.31
    dibutyl ether 280.81
    2,6-dimethyl-4-heptanol 117.74
    DEF 316.48
    dimethyl isosorbide 396.42
    tetrachloroethylene 858.45
    eugenol 176.76
    triacetin 283.92
    span 80 202.43
    1,4-butanediol 88.9
    1,1-dichloroethane 857.42
    2-methyl-1-pentanol 234.9
    methyl formate 112.77
    2-methyl-1-butanol 269.57
    n-decane 39.89
    butyronitrile 338.29
    3,7-dimethyl-1-octanol 139.09
    1-chlorooctane 128.76
    1-chlorotetradecane 57.94
    n-nonane 38.13
    undecane 28.57
    tert-butylcyclohexane 73.57
    cyclooctane 87.07
    cyclopentanol 240.06
    tetrahydropyran 1060.69
    tert-amyl methyl ether 281.15
    2,5,8-trioxanonane 446.16
    1-hexene 305.81
    2-isopropoxyethanol 248.1
    2,2,2-trifluoroethanol 154.97
    methyl butyrate 307.04

    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