2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol

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  • Identifiers

    CAS number
    23147-57-1

    Molecular formula
    C8H16O4

    SMILES
    CC1C(OC(C(O1)(C)O)C)(C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Buttery 49.04%
    Creamy 45.5%
    Dairy 41.65%
    Milky 41.61%
    Odorless 38.39%
    Caramellic 30.08%
    Fatty 29.64%
    Fruity 29.38%
    Sweet 26.44%
    Nutty 23.09%

     

    Flavor
    Sweet 45.72%
    Bitter 34.23%
    Green 28.18%
    Vegetable 27.98%
    Musty 27.79%
    Earthy 26.54%
    Woody 24.61%
    Herbal 24.16%
    Fruity 23.62%
    Odorless 23.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    9.73 (weak base)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 99.42 ˚C est.

  • Synonyms

    • 23147-57-1
    • 2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol
    • 1,4-Dioxane-2,5-diol, 2,3,5,6-tetramethyl-
    • EINECS 245-457-9
    • DTXSID8051883
    • 3-Hydroxy-2-butanone dimer
    • MFCD00038696
    • Acetylmethylcarbinol dimer
    • SCHEMBL1669130
    • DTXCID6030443
    • AKOS025310964
    • NS00021887
    • 2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol #
    • p-Dioxane, 2,5-dihydroxy-2,3,5,6-tetramethyl-
    • 245-457-9

  • Applications

    Chemical name: 2,3,5,6-Tetramethyl-1,4-dioxane-2,5-diol; CAS 23147-57-1. In industrial practice, this compound is described primarily as an organic synthesis intermediate and building block. Potential applications include use as a precursor for specialty polymers and as a crosslinking agent or functional monomer in polymer formulations; it may serve as a processing aid or component in coatings and inks; it can act as a diol building block for advanced materials used in electronics-related coatings and adhesives; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 234.31
    methanol 516.65
    isopropanol 209.53
    water 51.96
    ethyl acetate 144.86
    n-propanol 190.9
    acetone 271.76
    n-butanol 138.99
    acetonitrile 181.63
    DMF 706.34
    toluene 46.48
    isobutanol 141.9
    1,4-dioxane 321.3
    methyl acetate 192.98
    THF 423.77
    2-butanone 186.18
    n-pentanol 95.61
    sec-butanol 170.82
    n-hexane 18.99
    ethylene glycol 139.16
    NMP 452.79
    cyclohexane 16.77
    DMSO 833.01
    n-butyl acetate 78.42
    n-octanol 65.62
    chloroform 310.34
    n-propyl acetate 84.51
    acetic acid 206.54
    dichloromethane 336.23
    cyclohexanone 223.85
    propylene glycol 132.36
    isopropyl acetate 102.51
    DMAc 590.89
    2-ethoxyethanol 234.02
    isopentanol 104.78
    n-heptane 10.94
    ethyl formate 179.82
    1,2-dichloroethane 202.38
    n-hexanol 81.07
    2-methoxyethanol 416.41
    isobutyl acetate 56.83
    tetrachloromethane 69.97
    n-pentyl acetate 61.39
    transcutol 198.73
    n-heptanol 52.95
    ethylbenzene 39.55
    MIBK 93.84
    2-propoxyethanol 197.33
    tert-butanol 250.49
    MTBE 174.64
    2-butoxyethanol 108.13
    propionic acid 160.91
    o-xylene 53.78
    formic acid 239.88
    diethyl ether 142.46
    m-xylene 44.04
    p-xylene 58.3
    chlorobenzene 70.53
    dimethyl carbonate 94.78
    n-octane 8.06
    formamide 274.28
    cyclopentanone 305.48
    2-pentanone 138.53
    anisole 93.35
    cyclopentyl methyl ether 147.86
    gamma-butyrolactone 401.34
    1-methoxy-2-propanol 277.41
    pyridine 123.63
    3-pentanone 122.8
    furfural 334.42
    n-dodecane 7.09
    diethylene glycol 197.7
    diisopropyl ether 49.01
    tert-amyl alcohol 198.25
    acetylacetone 200.67
    n-hexadecane 7.9
    acetophenone 103.91
    methyl propionate 147.95
    isopentyl acetate 76.16
    trichloroethylene 282.09
    n-nonanol 57.23
    cyclohexanol 114.11
    benzyl alcohol 82.23
    2-ethylhexanol 47.92
    isooctanol 44.79
    dipropyl ether 60.96
    1,2-dichlorobenzene 83.68
    ethyl lactate 73.46
    propylene carbonate 193.14
    n-methylformamide 354.85
    2-pentanol 95.28
    n-pentane 17.6
    1-propoxy-2-propanol 113.07
    1-methoxy-2-propyl acetate 106.39
    2-(2-methoxypropoxy) propanol 102.88
    mesitylene 33.71
    ε-caprolactone 204.54
    p-cymene 30.91
    epichlorohydrin 341.82
    1,1,1-trichloroethane 154.46
    2-aminoethanol 184.19
    morpholine-4-carbaldehyde 465.17
    sulfolane 507.76
    2,2,4-trimethylpentane 12.48
    2-methyltetrahydrofuran 224.75
    n-hexyl acetate 93.17
    isooctane 8.01
    2-(2-butoxyethoxy)ethanol 114.21
    sec-butyl acetate 60.89
    tert-butyl acetate 116.5
    decalin 14.25
    glycerin 228.61
    diglyme 250.17
    acrylic acid 147.45
    isopropyl myristate 42.53
    n-butyric acid 157.18
    acetyl acetate 119.64
    di(2-ethylhexyl) phthalate 42.95
    ethyl propionate 89.86
    nitromethane 444.35
    1,2-diethoxyethane 85.81
    benzonitrile 91.79
    trioctyl phosphate 37.06
    1-bromopropane 105.73
    gamma-valerolactone 433.48
    n-decanol 42.92
    triethyl phosphate 59.26
    4-methyl-2-pentanol 58.05
    propionitrile 125.52
    vinylene carbonate 175.96
    1,1,2-trichlorotrifluoroethane 275.99
    DMS 96.74
    cumene 34.55
    2-octanol 45.3
    2-hexanone 91.12
    octyl acetate 52.42
    limonene 40.07
    1,2-dimethoxyethane 388.21
    ethyl orthosilicate 56.1
    tributyl phosphate 41.95
    diacetone alcohol 142.98
    N,N-dimethylaniline 86.31
    acrylonitrile 157.92
    aniline 77.03
    1,3-propanediol 204.54
    bromobenzene 64.0
    dibromomethane 200.25
    1,1,2,2-tetrachloroethane 285.78
    2-methyl-cyclohexyl acetate 63.22
    tetrabutyl urea 60.34
    diisobutyl methanol 38.19
    2-phenylethanol 70.55
    styrene 38.05
    dioctyl adipate 58.14
    dimethyl sulfate 224.78
    ethyl butyrate 72.42
    methyl lactate 118.09
    butyl lactate 62.11
    diethyl carbonate 59.71
    propanediol butyl ether 98.96
    triethyl orthoformate 60.82
    p-tert-butyltoluene 33.09
    methyl 4-tert-butylbenzoate 102.06
    morpholine 292.61
    tert-butylamine 147.09
    n-dodecanol 33.32
    dimethoxymethane 336.55
    ethylene carbonate 158.44
    cyrene 119.05
    2-ethoxyethyl acetate 84.26
    2-ethylhexyl acetate 61.06
    1,2,4-trichlorobenzene 102.36
    4-methylpyridine 147.54
    dibutyl ether 53.35
    2,6-dimethyl-4-heptanol 38.19
    DEF 204.4
    dimethyl isosorbide 161.68
    tetrachloroethylene 183.33
    eugenol 90.38
    triacetin 98.18
    span 80 73.93
    1,4-butanediol 98.9
    1,1-dichloroethane 173.49
    2-methyl-1-pentanol 75.06
    methyl formate 311.41
    2-methyl-1-butanol 109.06
    n-decane 12.23
    butyronitrile 116.79
    3,7-dimethyl-1-octanol 59.58
    1-chlorooctane 38.84
    1-chlorotetradecane 17.15
    n-nonane 11.73
    undecane 8.96
    tert-butylcyclohexane 14.45
    cyclooctane 8.76
    cyclopentanol 156.29
    tetrahydropyran 179.12
    tert-amyl methyl ether 136.85
    2,5,8-trioxanonane 178.38
    1-hexene 44.08
    2-isopropoxyethanol 132.24
    2,2,2-trifluoroethanol 151.07
    methyl butyrate 119.28

    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