1,3-Dioxane, 2,4,5-trimethyl-4-phenyl-

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  • Identifiers

    CAS number
    37922-18-2

    Molecular formula
    C13H18O2

    SMILES
    CC1COC(OC1(C)C2=CC=CC=C2)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 76.26%
    Green 74.53%
    Herbal 45.54%
    Fruity 44.58%
    Woody 43.48%
    Fresh 42.11%
    Earthy 37.37%
    Rose 32.56%
    Grapefruit 31.03%
    Leafy 30.69%

     

    Flavor
    Green 65.93%
    Floral 48.98%
    Earthy 46.83%
    Woody 39.26%
    Sweet 38.06%
    Herbal 37.41%
    Fruity 35.13%
    Bitter 32.45%
    Spicy 31.17%
    Musty 30.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.95 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 97.37 ˚C est.

  • Synonyms

    • 2,4,5-Trimethyl-4-phenyl-1,3-dioxane
    • 1,3-Dioxane, 2,4,5-trimethyl-4-phenyl-
    • EINECS 253-717-8
    • DTXSID00865893
    • RefChem:72767
    • DTXCID10814251
    • 253-717-8
    • 37922-18-2
    • SCHEMBL20608605
    • HIPJVLQQRRZAQN-UHFFFAOYSA-N
    • NS00056347
    • 37922-18-2

  • Applications

    For the compound 1,3-Dioxane, 2,4,5-trimethyl-4-phenyl-, CAS number: 37922-18-2, typical real-world applications include use as an odorant and synthesis intermediate in perfumery and flavor chemistry; as a fragrance component in cosmetics and personal care products; as a fragrance additive in household cleaning products and air fresheners; as an intermediate in industrial manufacturing for fragrance development; and as a scent-related additive in coatings and inks, with use subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 377.26
    methanol 394.47
    isopropanol 290.14
    water 2.36
    ethyl acetate 511.75
    n-propanol 380.95
    acetone 418.0
    n-butanol 340.12
    acetonitrile 489.23
    DMF 426.53
    toluene 445.7
    isobutanol 288.54
    1,4-dioxane 1133.2
    methyl acetate 476.86
    THF 874.05
    2-butanone 442.83
    n-pentanol 245.32
    sec-butanol 265.22
    n-hexane 91.64
    ethylene glycol 83.36
    NMP 422.89
    cyclohexane 209.47
    DMSO 463.1
    n-butyl acetate 418.37
    n-octanol 194.49
    chloroform 2283.77
    n-propyl acetate 316.23
    acetic acid 282.21
    dichloromethane 2187.82
    cyclohexanone 708.8
    propylene glycol 89.5
    isopropyl acetate 278.43
    DMAc 453.61
    2-ethoxyethanol 310.07
    isopentanol 285.49
    n-heptane 73.92
    ethyl formate 336.97
    1,2-dichloroethane 1082.03
    n-hexanol 349.52
    2-methoxyethanol 381.41
    isobutyl acetate 232.43
    tetrachloromethane 365.37
    n-pentyl acetate 251.24
    transcutol 815.01
    n-heptanol 168.51
    ethylbenzene 238.49
    MIBK 240.93
    2-propoxyethanol 415.02
    tert-butanol 348.06
    MTBE 392.98
    2-butoxyethanol 232.34
    propionic acid 270.56
    o-xylene 267.66
    formic acid 90.25
    diethyl ether 611.41
    m-xylene 284.19
    p-xylene 291.48
    chlorobenzene 559.75
    dimethyl carbonate 188.19
    n-octane 37.05
    formamide 132.53
    cyclopentanone 619.19
    2-pentanone 381.42
    anisole 396.15
    cyclopentyl methyl ether 482.5
    gamma-butyrolactone 717.17
    1-methoxy-2-propanol 275.75
    pyridine 631.99
    3-pentanone 379.04
    furfural 589.23
    n-dodecane 31.42
    diethylene glycol 280.29
    diisopropyl ether 170.18
    tert-amyl alcohol 277.46
    acetylacetone 386.45
    n-hexadecane 36.59
    acetophenone 331.66
    methyl propionate 372.84
    isopentyl acetate 345.0
    trichloroethylene 1602.95
    n-nonanol 166.39
    cyclohexanol 370.5
    benzyl alcohol 259.29
    2-ethylhexanol 217.31
    isooctanol 144.14
    dipropyl ether 312.72
    1,2-dichlorobenzene 488.83
    ethyl lactate 140.65
    propylene carbonate 445.49
    n-methylformamide 221.36
    2-pentanol 217.59
    n-pentane 91.15
    1-propoxy-2-propanol 265.46
    1-methoxy-2-propyl acetate 305.18
    2-(2-methoxypropoxy) propanol 229.59
    mesitylene 183.99
    ε-caprolactone 609.48
    p-cymene 147.99
    epichlorohydrin 888.87
    1,1,1-trichloroethane 838.51
    2-aminoethanol 155.57
    morpholine-4-carbaldehyde 552.17
    sulfolane 671.2
    2,2,4-trimethylpentane 49.23
    2-methyltetrahydrofuran 670.44
    n-hexyl acetate 350.09
    isooctane 35.15
    2-(2-butoxyethoxy)ethanol 303.92
    sec-butyl acetate 226.72
    tert-butyl acetate 268.37
    decalin 84.63
    glycerin 126.69
    diglyme 579.3
    acrylic acid 214.62
    isopropyl myristate 147.08
    n-butyric acid 363.79
    acetyl acetate 332.49
    di(2-ethylhexyl) phthalate 134.98
    ethyl propionate 289.56
    nitromethane 421.86
    1,2-diethoxyethane 407.73
    benzonitrile 393.9
    trioctyl phosphate 102.57
    1-bromopropane 680.11
    gamma-valerolactone 682.43
    n-decanol 123.13
    triethyl phosphate 152.09
    4-methyl-2-pentanol 139.87
    propionitrile 454.83
    vinylene carbonate 483.81
    1,1,2-trichlorotrifluoroethane 428.09
    DMS 297.25
    cumene 168.71
    2-octanol 130.11
    2-hexanone 300.55
    octyl acetate 181.28
    limonene 195.06
    1,2-dimethoxyethane 581.16
    ethyl orthosilicate 143.25
    tributyl phosphate 125.95
    diacetone alcohol 235.17
    N,N-dimethylaniline 251.62
    acrylonitrile 447.62
    aniline 370.66
    1,3-propanediol 218.41
    bromobenzene 666.13
    dibromomethane 1408.63
    1,1,2,2-tetrachloroethane 1243.93
    2-methyl-cyclohexyl acetate 235.57
    tetrabutyl urea 148.84
    diisobutyl methanol 120.89
    2-phenylethanol 276.88
    styrene 291.09
    dioctyl adipate 189.58
    dimethyl sulfate 250.4
    ethyl butyrate 306.04
    methyl lactate 143.91
    butyl lactate 162.05
    diethyl carbonate 224.19
    propanediol butyl ether 190.87
    triethyl orthoformate 193.03
    p-tert-butyltoluene 140.98
    methyl 4-tert-butylbenzoate 261.6
    morpholine 837.01
    tert-butylamine 271.76
    n-dodecanol 98.04
    dimethoxymethane 412.24
    ethylene carbonate 430.84
    cyrene 221.88
    2-ethoxyethyl acetate 321.78
    2-ethylhexyl acetate 296.92
    1,2,4-trichlorobenzene 527.79
    4-methylpyridine 630.54
    dibutyl ether 262.37
    2,6-dimethyl-4-heptanol 120.89
    DEF 428.08
    dimethyl isosorbide 370.01
    tetrachloroethylene 835.01
    eugenol 229.13
    triacetin 298.74
    span 80 202.04
    1,4-butanediol 114.39
    1,1-dichloroethane 995.79
    2-methyl-1-pentanol 229.5
    methyl formate 228.51
    2-methyl-1-butanol 278.53
    n-decane 52.71
    butyronitrile 465.66
    3,7-dimethyl-1-octanol 169.35
    1-chlorooctane 190.1
    1-chlorotetradecane 80.6
    n-nonane 53.7
    undecane 39.17
    tert-butylcyclohexane 70.81
    cyclooctane 72.72
    cyclopentanol 326.88
    tetrahydropyran 900.29
    tert-amyl methyl ether 287.4
    2,5,8-trioxanonane 391.14
    1-hexene 256.94
    2-isopropoxyethanol 238.35
    2,2,2-trifluoroethanol 135.07
    methyl butyrate 346.85

    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