1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5182-36-5

    Molecular formula
    C13H18O2

    SMILES
    CC1CC(OC(O1)C)(C)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 91.47%
    Floral 84.0%
    Herbal 73.76%
    Fresh 58.12%
    Rose 45.18%
    Citrus 44.66%
    Leafy 42.68%
    Woody 40.39%
    Grapefruit 40.06%
    Geranium 37.53%

     

    Flavor
    Green 74.87%
    Earthy 49.2%
    Sweet 41.02%
    Woody 39.54%
    Floral 37.44%
    Herbal 36.72%
    Nutty 33.4%
    Musty 32.65%
    Bitter 32.1%
    Spicy 29.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.28 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 278.00 to 279.00 °C. @ 760.00 mm Hg

    Flash point

    • 98.78 ˚C est.

  • Synonyms

    • 2,4,6-Trimethyl-4-phenyl-1,3-dioxane
    • 5182-36-5
    • FLOROPAL
    • 1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
    • EINECS 225-963-6
    • DTXSID7052157
    • Vertacetal
    • Floralate
    • SCHEMBL110856
    • DTXCID2030726
    • BBL030527
    • STL349631
    • AKOS015955288
    • VS-09871
    • 2,4,6-trimethyl-4-phenyl-(1,3)-dioxane
    • NS00013304
    • 225-963-6
    • Vertacetal Coeur

  • Applications

    Chemical name: 1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-; CAS number: 5182-36-5. 1,3-Dioxane, 2,4,6-trimethyl-4-phenyl- may be used as a fragrance ingredient or odorant, contributing to aroma profiles and sometimes serving as a fixative in perfumery and cosmetics. It can act as an intermediate in organic synthesis, providing a building block for specialty chemicals and polymer-related formulations. In industrial manufacturing, it may function as a solvent or processing aid for coatings, inks, and other specialty materials. In consumer applications, it may be employed in household products to impart scent or as part of formulations in cleaners and air fresheners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 437.19
    methanol 592.62
    isopropanol 298.36
    water 2.91
    ethyl acetate 479.12
    n-propanol 405.87
    acetone 410.94
    n-butanol 380.03
    acetonitrile 411.99
    DMF 420.64
    toluene 426.89
    isobutanol 309.06
    1,4-dioxane 1034.07
    methyl acetate 423.65
    THF 957.58
    2-butanone 379.92
    n-pentanol 239.05
    sec-butanol 272.31
    n-hexane 130.07
    ethylene glycol 114.19
    NMP 506.64
    cyclohexane 277.26
    DMSO 427.2
    n-butyl acetate 319.46
    n-octanol 183.06
    chloroform 1717.49
    n-propyl acetate 221.44
    acetic acid 344.1
    dichloromethane 1500.81
    cyclohexanone 692.54
    propylene glycol 117.3
    isopropyl acetate 255.76
    DMAc 476.57
    2-ethoxyethanol 261.25
    isopentanol 306.34
    n-heptane 81.04
    ethyl formate 254.22
    1,2-dichloroethane 789.65
    n-hexanol 405.14
    2-methoxyethanol 409.6
    isobutyl acetate 170.91
    tetrachloromethane 251.97
    n-pentyl acetate 204.59
    transcutol 891.97
    n-heptanol 144.67
    ethylbenzene 165.81
    MIBK 209.8
    2-propoxyethanol 472.07
    tert-butanol 325.45
    MTBE 383.86
    2-butoxyethanol 202.27
    propionic acid 306.94
    o-xylene 217.86
    formic acid 132.36
    diethyl ether 635.86
    m-xylene 241.76
    p-xylene 194.7
    chlorobenzene 467.75
    dimethyl carbonate 177.15
    n-octane 31.93
    formamide 142.73
    cyclopentanone 579.13
    2-pentanone 340.91
    anisole 269.81
    cyclopentyl methyl ether 581.49
    gamma-butyrolactone 687.21
    1-methoxy-2-propanol 303.28
    pyridine 577.33
    3-pentanone 346.15
    furfural 484.72
    n-dodecane 27.18
    diethylene glycol 320.17
    diisopropyl ether 167.61
    tert-amyl alcohol 266.14
    acetylacetone 334.61
    n-hexadecane 31.57
    acetophenone 222.74
    methyl propionate 372.92
    isopentyl acetate 267.92
    trichloroethylene 1163.84
    n-nonanol 155.29
    cyclohexanol 465.19
    benzyl alcohol 198.21
    2-ethylhexanol 212.38
    isooctanol 117.83
    dipropyl ether 289.69
    1,2-dichlorobenzene 342.96
    ethyl lactate 111.69
    propylene carbonate 390.38
    n-methylformamide 227.86
    2-pentanol 229.68
    n-pentane 123.65
    1-propoxy-2-propanol 270.26
    1-methoxy-2-propyl acetate 293.59
    2-(2-methoxypropoxy) propanol 216.14
    mesitylene 147.73
    ε-caprolactone 563.69
    p-cymene 106.65
    epichlorohydrin 719.63
    1,1,1-trichloroethane 630.81
    2-aminoethanol 191.37
    morpholine-4-carbaldehyde 554.8
    sulfolane 591.17
    2,2,4-trimethylpentane 48.98
    2-methyltetrahydrofuran 779.31
    n-hexyl acetate 322.09
    isooctane 32.81
    2-(2-butoxyethoxy)ethanol 289.92
    sec-butyl acetate 163.24
    tert-butyl acetate 228.39
    decalin 87.48
    glycerin 166.86
    diglyme 506.85
    acrylic acid 236.7
    isopropyl myristate 123.82
    n-butyric acid 385.45
    acetyl acetate 308.49
    di(2-ethylhexyl) phthalate 122.77
    ethyl propionate 211.85
    nitromethane 439.84
    1,2-diethoxyethane 353.74
    benzonitrile 278.78
    trioctyl phosphate 87.29
    1-bromopropane 587.98
    gamma-valerolactone 625.26
    n-decanol 113.25
    triethyl phosphate 123.74
    4-methyl-2-pentanol 129.22
    propionitrile 369.91
    vinylene carbonate 390.31
    1,1,2-trichlorotrifluoroethane 388.18
    DMS 255.1
    cumene 123.83
    2-octanol 107.24
    2-hexanone 219.2
    octyl acetate 158.04
    limonene 166.0
    1,2-dimethoxyethane 474.0
    ethyl orthosilicate 120.65
    tributyl phosphate 114.2
    diacetone alcohol 214.85
    N,N-dimethylaniline 185.85
    acrylonitrile 340.49
    aniline 358.45
    1,3-propanediol 244.78
    bromobenzene 525.39
    dibromomethane 1012.0
    1,1,2,2-tetrachloroethane 945.35
    2-methyl-cyclohexyl acetate 191.82
    tetrabutyl urea 136.84
    diisobutyl methanol 103.31
    2-phenylethanol 230.56
    styrene 204.8
    dioctyl adipate 161.71
    dimethyl sulfate 225.76
    ethyl butyrate 212.09
    methyl lactate 140.29
    butyl lactate 134.74
    diethyl carbonate 160.69
    propanediol butyl ether 184.45
    triethyl orthoformate 161.13
    p-tert-butyltoluene 105.31
    methyl 4-tert-butylbenzoate 204.92
    morpholine 849.64
    tert-butylamine 257.9
    n-dodecanol 87.48
    dimethoxymethane 415.36
    ethylene carbonate 361.84
    cyrene 201.63
    2-ethoxyethyl acetate 270.95
    2-ethylhexyl acetate 233.52
    1,2,4-trichlorobenzene 393.74
    4-methylpyridine 539.06
    dibutyl ether 236.97
    2,6-dimethyl-4-heptanol 103.31
    DEF 381.61
    dimethyl isosorbide 341.62
    tetrachloroethylene 635.58
    eugenol 184.64
    triacetin 258.23
    span 80 193.62
    1,4-butanediol 112.08
    1,1-dichloroethane 715.46
    2-methyl-1-pentanol 223.9
    methyl formate 226.04
    2-methyl-1-butanol 301.28
    n-decane 47.57
    butyronitrile 363.55
    3,7-dimethyl-1-octanol 158.6
    1-chlorooctane 161.7
    1-chlorotetradecane 67.13
    n-nonane 50.83
    undecane 34.34
    tert-butylcyclohexane 69.52
    cyclooctane 86.82
    cyclopentanol 374.77
    tetrahydropyran 999.22
    tert-amyl methyl ether 287.1
    2,5,8-trioxanonane 366.53
    1-hexene 270.5
    2-isopropoxyethanol 199.84
    2,2,2-trifluoroethanol 143.95
    methyl butyrate 243.99

    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