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

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  • Identifiers

    CAS number
    67633-94-7

    Molecular formula
    C14H20O2

    SMILES
    CC1CC(OC(O1)CC2=CC=CC=C2)(C)C

  • Odor profile

    Fragrance
    Green 90.08%
    Floral 82.14%
    Herbal 67.09%
    Rose 52.44%
    Fresh 47.54%
    Leafy 41.77%
    Geranium 39.93%
    Hyacinth 38.97%
    Cortex 38.93%
    Muguet 35.95%

     

    Flavor
    Green 75.85%
    Floral 45.19%
    Earthy 45.18%
    Sweet 39.92%
    Bitter 38.29%
    Herbal 33.8%
    Woody 28.71%
    Metallic 27.86%
    Spicy 27.75%
    Tropical 27.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.91 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point

    • 107.43 ˚C est.

  • Synonyms

    • 2-Benzyl-4,4,6-trimethyl-1,3-dioxane
    • 67633-94-7
    • Reseda body
    • 4,4,6-Trimethyl-2-benzyl-1,3-dioxane
    • EINECS 266-795-3
    • Phenylacetaldehyde 2,4-dihydroxy-2-methylpentane acetal
    • 2-(Phenylmethyl)-4,4,6-trimethyl-1,3-dioxane
    • BRN 0134216
    • m-Dioxane, 2-benzyl-4,4,6-trimethyl-
    • 1,3-Dioxane, 4,4,6-trimethyl-2-(phenylmethyl)-
    • DTXSID3052351
    • 4-19-00-00250 (Beilstein Handbook Reference)
    • 1,3-Dioxane, 2-(phenylmethyl)-4,4,6-trimethyl-
    • NSC 26387
    • reseda acetal
    • NSC26387
    • SCHEMBL295968
    • DTXCID3030923
    • KSEFBQCEGMTNPD-UHFFFAOYSA-N
    • NSC-26387
    • 1, 2-(phenylmethyl)-4,4,6-trimethyl-
    • 1, 4,4,6-trimethyl-2-(phenylmethyl)-
    • NS00013136
    • 266-795-3

  • Applications

    1,3-Dioxane, 4,4,6-trimethyl-2-(phenylmethyl)- (CAS 67633-94-7) is primarily used as an intermediate in fragrance chemistry and related aromatic compounds, and may serve as a specialty solvent in industrial formulations. It provides a building block for the synthesis of aroma compounds and perfumery fixatives within fragrance systems. In the polymers and plastics sector, it can act as a synthetic precursor or processing aid in certain formulations. In coatings and inks, it can function as a processing intermediate or solvent for active ingredients. It may also be employed as a synthetic building block in pharmaceutical synthesis and in industrial cleaning formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1058.77
    methanol 1108.0
    isopropanol 657.69
    water 5.19
    ethyl acetate 786.41
    n-propanol 816.36
    acetone 626.05
    n-butanol 779.25
    acetonitrile 499.5
    DMF 542.5
    toluene 504.02
    isobutanol 523.81
    1,4-dioxane 1642.03
    methyl acetate 625.76
    THF 1348.98
    2-butanone 519.32
    n-pentanol 469.82
    sec-butanol 535.97
    n-hexane 221.22
    ethylene glycol 182.03
    NMP 563.34
    cyclohexane 444.98
    DMSO 482.97
    n-butyl acetate 555.58
    n-octanol 251.51
    chloroform 2107.05
    n-propyl acetate 337.99
    acetic acid 850.46
    dichloromethane 1519.02
    cyclohexanone 840.37
    propylene glycol 243.31
    isopropyl acetate 446.68
    DMAc 705.21
    2-ethoxyethanol 523.64
    isopentanol 564.85
    n-heptane 147.39
    ethyl formate 360.92
    1,2-dichloroethane 952.74
    n-hexanol 764.34
    2-methoxyethanol 845.23
    isobutyl acetate 277.2
    tetrachloromethane 268.53
    n-pentyl acetate 268.42
    transcutol 1934.82
    n-heptanol 224.09
    ethylbenzene 183.8
    MIBK 290.38
    2-propoxyethanol 960.79
    tert-butanol 596.8
    MTBE 664.26
    2-butoxyethanol 374.82
    propionic acid 549.23
    o-xylene 257.69
    formic acid 323.63
    diethyl ether 1105.03
    m-xylene 292.31
    p-xylene 236.4
    chlorobenzene 512.28
    dimethyl carbonate 240.5
    n-octane 43.98
    formamide 279.19
    cyclopentanone 600.37
    2-pentanone 454.78
    anisole 312.54
    cyclopentyl methyl ether 787.99
    gamma-butyrolactone 719.5
    1-methoxy-2-propanol 581.75
    pyridine 767.94
    3-pentanone 446.91
    furfural 564.65
    n-dodecane 36.38
    diethylene glycol 587.41
    diisopropyl ether 297.66
    tert-amyl alcohol 461.63
    acetylacetone 432.94
    n-hexadecane 41.44
    acetophenone 264.16
    methyl propionate 526.65
    isopentyl acetate 455.09
    trichloroethylene 1288.03
    n-nonanol 229.32
    cyclohexanol 714.86
    benzyl alcohol 273.13
    2-ethylhexanol 378.49
    isooctanol 174.88
    dipropyl ether 531.86
    1,2-dichlorobenzene 383.07
    ethyl lactate 172.56
    propylene carbonate 476.42
    n-methylformamide 319.08
    2-pentanol 457.89
    n-pentane 205.43
    1-propoxy-2-propanol 597.35
    1-methoxy-2-propyl acetate 539.78
    2-(2-methoxypropoxy) propanol 378.77
    mesitylene 173.7
    ε-caprolactone 741.43
    p-cymene 134.76
    epichlorohydrin 876.09
    1,1,1-trichloroethane 783.76
    2-aminoethanol 400.46
    morpholine-4-carbaldehyde 784.06
    sulfolane 543.56
    2,2,4-trimethylpentane 79.17
    2-methyltetrahydrofuran 1040.28
    n-hexyl acetate 446.27
    isooctane 53.88
    2-(2-butoxyethoxy)ethanol 567.1
    sec-butyl acetate 275.3
    tert-butyl acetate 387.7
    decalin 122.65
    glycerin 306.98
    diglyme 897.9
    acrylic acid 407.78
    isopropyl myristate 173.02
    n-butyric acid 751.68
    acetyl acetate 498.53
    di(2-ethylhexyl) phthalate 176.24
    ethyl propionate 307.6
    nitromethane 734.37
    1,2-diethoxyethane 682.24
    benzonitrile 326.72
    trioctyl phosphate 114.75
    1-bromopropane 694.22
    gamma-valerolactone 852.57
    n-decanol 169.3
    triethyl phosphate 170.32
    4-methyl-2-pentanol 239.2
    propionitrile 397.73
    vinylene carbonate 451.72
    1,1,2-trichlorotrifluoroethane 615.98
    DMS 362.22
    cumene 135.71
    2-octanol 141.36
    2-hexanone 323.64
    octyl acetate 223.93
    limonene 231.67
    1,2-dimethoxyethane 776.91
    ethyl orthosilicate 183.31
    tributyl phosphate 163.95
    diacetone alcohol 339.63
    N,N-dimethylaniline 215.56
    acrylonitrile 340.08
    aniline 470.75
    1,3-propanediol 522.29
    bromobenzene 527.47
    dibromomethane 1102.15
    1,1,2,2-tetrachloroethane 1221.66
    2-methyl-cyclohexyl acetate 281.43
    tetrabutyl urea 190.68
    diisobutyl methanol 168.72
    2-phenylethanol 358.21
    styrene 226.29
    dioctyl adipate 243.05
    dimethyl sulfate 252.37
    ethyl butyrate 330.14
    methyl lactate 215.73
    butyl lactate 211.33
    diethyl carbonate 238.57
    propanediol butyl ether 317.61
    triethyl orthoformate 274.17
    p-tert-butyltoluene 131.58
    methyl 4-tert-butylbenzoate 258.13
    morpholine 1507.41
    tert-butylamine 455.22
    n-dodecanol 132.95
    dimethoxymethane 607.38
    ethylene carbonate 451.6
    cyrene 260.58
    2-ethoxyethyl acetate 396.85
    2-ethylhexyl acetate 393.99
    1,2,4-trichlorobenzene 430.66
    4-methylpyridine 650.18
    dibutyl ether 373.21
    2,6-dimethyl-4-heptanol 168.72
    DEF 511.61
    dimethyl isosorbide 528.66
    tetrachloroethylene 787.55
    eugenol 234.09
    triacetin 397.12
    span 80 333.61
    1,4-butanediol 214.44
    1,1-dichloroethane 850.53
    2-methyl-1-pentanol 372.63
    methyl formate 269.04
    2-methyl-1-butanol 507.35
    n-decane 66.53
    butyronitrile 455.2
    3,7-dimethyl-1-octanol 247.71
    1-chlorooctane 206.49
    1-chlorotetradecane 89.04
    n-nonane 68.08
    undecane 46.27
    tert-butylcyclohexane 102.48
    cyclooctane 132.86
    cyclopentanol 513.39
    tetrahydropyran 1557.73
    tert-amyl methyl ether 472.3
    2,5,8-trioxanonane 642.19
    1-hexene 423.77
    2-isopropoxyethanol 363.05
    2,2,2-trifluoroethanol 260.44
    methyl butyrate 365.17

    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