2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol

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  • Identifiers

    CAS number
    79072-96-1

    Molecular formula
    C24H30O6

    SMILES
    CCC1=CC=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC=C(C=C4)CC)C(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 47.64%
    Sweet 44.61%
    Fruity 40.1%
    Green 36.98%
    Herbal 26.59%
    Fresh 25.23%
    Rose 25.05%
    Balsamic 23.14%
    Animal 22.64%
    Earthy 22.64%

     

    Flavor
    Bitter 52.14%
    Sweet 37.67%
    Herbal 25.41%
    Floral 25.32%
    Metallic 23.79%
    Earthy 23.53%
    Green 23.4%
    Fatty 23.36%
    Naphthalic 22.16%
    Woody 22.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.06 (weak acid)

    Molecular weight
    414.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    804°C

    Flash point

    • 190.02 ˚C est.

  • Synonyms

    • 2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol
    • Hexitol, 1,3:2,4-bis-O-[(4-ethylphenyl)methylene]-
    • EC 406-176-9
    • 1,3:2,4-Bis-O-[(4-ethylphenyl)methylene]hexitol
    • Hexitol, 1,3:2,4-bis-O-((4-ethylphenyl)methylene)-
    • 1,3:2,4-Bis-O-((4-ethylphenyl)methylene)hexitol
    • RefChem:445212
    • 406-176-9
    • 79072-96-1
    • 1-[2,6-bis(4-ethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
    • bis(4-ethylbenzylidene)sorbitol
    • SCHEMBL12064701
    • DTXSID50893646
    • RPMMDFYGVMKCJU-UHFFFAOYSA-N
    • NS00010062
    • 1-[2,6-Bis(4-ethylphenyl)tetrahydro-2H,6H-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
    • 79072-96-1

  • Applications

    2,6-Bis(4-ethylphenyl)perhydro-1,3,5,7-tetraoxanaphth-4-ylethane-1,2-diol is typically employed as a reactive intermediate in polymer and resin chemistries, where it can serve as a diol component for polyesters and polyurethanes and as a crosslinking or chain-branching site in coatings and inks. It may also find use as a specialty intermediate in the synthesis of high‑performance resins for electronics and optical applications, and as a building block in adhesives formulations. In industrial manufacturing, it may be evaluated for custom resin systems requiring a rigid, aryl‑rich backbone; its use should be guided by formulation compatibility and local regulatory requirements. (CAS 79072-96-1)

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.64
    methanol 15.8
    isopropanol 5.2
    water 0.41
    ethyl acetate 52.15
    n-propanol 9.92
    acetone 45.76
    n-butanol 10.98
    acetonitrile 18.5
    DMF 90.72
    toluene 33.37
    isobutanol 7.75
    1,4-dioxane 61.1
    methyl acetate 45.85
    THF 141.46
    2-butanone 43.95
    n-pentanol 9.75
    sec-butanol 8.43
    n-hexane 0.44
    ethylene glycol 5.03
    NMP 134.01
    cyclohexane 1.56
    DMSO 158.89
    n-butyl acetate 24.06
    n-octanol 9.93
    chloroform 207.36
    n-propyl acetate 24.12
    acetic acid 82.91
    dichloromethane 241.72
    cyclohexanone 100.55
    propylene glycol 6.08
    isopropyl acetate 33.94
    DMAc 181.48
    2-ethoxyethanol 39.63
    isopentanol 11.18
    n-heptane 1.19
    ethyl formate 34.42
    1,2-dichloroethane 108.01
    n-hexanol 9.67
    2-methoxyethanol 52.1
    isobutyl acetate 14.55
    tetrachloromethane 16.26
    n-pentyl acetate 34.1
    transcutol 176.45
    n-heptanol 11.72
    ethylbenzene 9.71
    MIBK 26.86
    2-propoxyethanol 41.46
    tert-butanol 9.32
    MTBE 13.64
    2-butoxyethanol 38.34
    propionic acid 36.57
    o-xylene 20.28
    formic acid 40.17
    diethyl ether 16.89
    m-xylene 19.57
    p-xylene 10.7
    chlorobenzene 50.34
    dimethyl carbonate 63.47
    n-octane 0.76
    formamide 63.85
    cyclopentanone 137.76
    2-pentanone 42.55
    anisole 26.67
    cyclopentyl methyl ether 53.39
    gamma-butyrolactone 159.2
    1-methoxy-2-propanol 39.63
    pyridine 73.05
    3-pentanone 41.74
    furfural 137.22
    n-dodecane 0.69
    diethylene glycol 32.57
    diisopropyl ether 6.15
    tert-amyl alcohol 12.59
    acetylacetone 90.32
    n-hexadecane 0.81
    acetophenone 41.7
    methyl propionate 58.0
    isopentyl acetate 25.97
    trichloroethylene 308.31
    n-nonanol 11.2
    cyclohexanol 20.54
    benzyl alcohol 30.17
    2-ethylhexanol 9.28
    isooctanol 10.73
    dipropyl ether 13.43
    1,2-dichlorobenzene 50.26
    ethyl lactate 24.86
    propylene carbonate 81.76
    n-methylformamide 43.77
    2-pentanol 8.38
    n-pentane 0.62
    1-propoxy-2-propanol 30.95
    1-methoxy-2-propyl acetate 53.9
    2-(2-methoxypropoxy) propanol 43.48
    mesitylene 9.59
    ε-caprolactone 96.51
    p-cymene 8.81
    epichlorohydrin 192.48
    1,1,1-trichloroethane 64.89
    2-aminoethanol 9.15
    morpholine-4-carbaldehyde 126.21
    sulfolane 223.25
    2,2,4-trimethylpentane 1.09
    2-methyltetrahydrofuran 54.93
    n-hexyl acetate 32.08
    isooctane 0.63
    2-(2-butoxyethoxy)ethanol 54.19
    sec-butyl acetate 18.51
    tert-butyl acetate 35.28
    decalin 1.34
    glycerin 18.68
    diglyme 122.57
    acrylic acid 48.36
    isopropyl myristate 12.6
    n-butyric acid 54.25
    acetyl acetate 66.15
    di(2-ethylhexyl) phthalate 18.86
    ethyl propionate 26.82
    nitromethane 166.2
    1,2-diethoxyethane 38.34
    benzonitrile 29.34
    trioctyl phosphate 13.16
    1-bromopropane 25.73
    gamma-valerolactone 179.14
    n-decanol 7.63
    triethyl phosphate 22.16
    4-methyl-2-pentanol 7.32
    propionitrile 15.68
    vinylene carbonate 90.73
    1,1,2-trichlorotrifluoroethane 150.61
    DMS 49.95
    cumene 6.44
    2-octanol 7.96
    2-hexanone 21.24
    octyl acetate 17.68
    limonene 12.06
    1,2-dimethoxyethane 62.53
    ethyl orthosilicate 20.3
    tributyl phosphate 15.39
    diacetone alcohol 45.07
    N,N-dimethylaniline 19.53
    acrylonitrile 31.3
    aniline 41.97
    1,3-propanediol 17.41
    bromobenzene 53.03
    dibromomethane 102.36
    1,1,2,2-tetrachloroethane 179.07
    2-methyl-cyclohexyl acetate 25.0
    tetrabutyl urea 19.85
    diisobutyl methanol 7.18
    2-phenylethanol 25.8
    styrene 12.44
    dioctyl adipate 25.3
    dimethyl sulfate 121.74
    ethyl butyrate 25.48
    methyl lactate 46.12
    butyl lactate 31.66
    diethyl carbonate 22.06
    propanediol butyl ether 29.82
    triethyl orthoformate 25.18
    p-tert-butyltoluene 8.65
    methyl 4-tert-butylbenzoate 51.63
    morpholine 64.86
    tert-butylamine 4.37
    n-dodecanol 5.48
    dimethoxymethane 83.57
    ethylene carbonate 73.21
    cyrene 58.79
    2-ethoxyethyl acetate 62.65
    2-ethylhexyl acetate 20.48
    1,2,4-trichlorobenzene 66.41
    4-methylpyridine 66.51
    dibutyl ether 12.24
    2,6-dimethyl-4-heptanol 7.18
    DEF 65.95
    dimethyl isosorbide 86.03
    tetrachloroethylene 109.99
    eugenol 41.22
    triacetin 65.92
    span 80 32.32
    1,4-butanediol 8.36
    1,1-dichloroethane 61.33
    2-methyl-1-pentanol 11.44
    methyl formate 52.17
    2-methyl-1-butanol 11.92
    n-decane 1.3
    butyronitrile 14.03
    3,7-dimethyl-1-octanol 10.79
    1-chlorooctane 7.11
    1-chlorotetradecane 2.78
    n-nonane 1.05
    undecane 0.91
    tert-butylcyclohexane 1.03
    cyclooctane 1.12
    cyclopentanol 23.64
    tetrahydropyran 43.12
    tert-amyl methyl ether 17.75
    2,5,8-trioxanonane 81.44
    1-hexene 2.27
    2-isopropoxyethanol 27.79
    2,2,2-trifluoroethanol 55.22
    methyl butyrate 34.04

    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