1,1'-Oxybis(ethylbenzene)

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  • Identifiers

    CAS number
    68900-67-4

    Molecular formula
    C16H18O

    SMILES
    CCC1=CC=CC=C1OC2=CC=CC=C2CC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 73.24%
    Spicy 60.87%
    Smoky 50.44%
    Medicinal 46.71%
    Leathery 43.41%
    Herbal 40.4%
    Sweet 38.54%
    Animal 35.24%
    Burnt 34.96%
    Woody 29.75%

     

    Flavor
    Phenolic 57.06%
    Medicinal 40.76%
    Spicy 39.08%
    Herbal 33.07%
    Spice 32.78%
    Smoky 31.83%
    Earthy 30.93%
    Sweet 30.03%
    Musty 29.99%
    Anise 27.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.41 (weak base)

    Molecular weight
    226.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point

    • 128.1 ˚C est.

  • Synonyms

    • 68900-67-4
    • DTXSID50891001
    • Benzene, 1,1'-oxybis(ethyl-
    • Benzene, 1,1'-oxybis[ethyl-
    • RefChem:1051624
    • DTXCID701030249
    • 272-620-1
    • 1,1'-Oxybis(ethylbenzene)
    • SCHEMBL475213
    • 1,1'-Oxybis(2-ethylbenzene)
    • YIMFCJMGPKCUNS-UHFFFAOYSA-N
    • 68900-67-4

  • Applications

    1,1'-Oxybis(ethylbenzene) (CAS 68900-67-4) is a diaryl ether that can be used as an intermediate in the synthesis of aromatic compounds and related derivatives; may be used as a solvent or processing aid in industrial manufacturing; serves as a building block for dyes and pigments, as well as other specialty chemicals for the sector; is used as a precursor in coatings, inks, and adhesives formulations; and can participate in polymer or plastic formulations as an intermediate or additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 630.2
    methanol 406.92
    isopropanol 571.44
    water 0.29
    ethyl acetate 4450.15
    n-propanol 750.75
    acetone 4044.2
    n-butanol 933.54
    acetonitrile 2630.07
    DMF 3500.58
    toluene 2898.06
    isobutanol 749.9
    1,4-dioxane 4761.69
    methyl acetate 3064.19
    THF 4607.16
    2-butanone 3479.29
    n-pentanol 655.76
    sec-butanol 744.74
    n-hexane 1500.93
    ethylene glycol 33.21
    NMP 3026.02
    cyclohexane 2606.29
    DMSO 1343.86
    n-butyl acetate 3803.69
    n-octanol 589.62
    chloroform 12240.06
    n-propyl acetate 2733.11
    acetic acid 977.63
    dichloromethane 14071.95
    cyclohexanone 6421.44
    propylene glycol 68.74
    isopropyl acetate 2486.14
    DMAc 2681.77
    2-ethoxyethanol 742.39
    isopentanol 985.17
    n-heptane 671.16
    ethyl formate 1780.02
    1,2-dichloroethane 11159.35
    n-hexanol 951.95
    2-methoxyethanol 950.6
    isobutyl acetate 1721.7
    tetrachloromethane 2040.27
    n-pentyl acetate 1929.3
    transcutol 2924.47
    n-heptanol 539.11
    ethylbenzene 1777.16
    MIBK 1672.03
    2-propoxyethanol 1005.56
    tert-butanol 831.13
    MTBE 2306.06
    2-butoxyethanol 756.04
    propionic acid 891.34
    o-xylene 1528.02
    formic acid 121.96
    diethyl ether 4988.33
    m-xylene 1511.82
    p-xylene 2366.67
    chlorobenzene 4787.74
    dimethyl carbonate 1389.04
    n-octane 326.92
    formamide 419.4
    cyclopentanone 5450.6
    2-pentanone 3225.89
    anisole 2593.39
    cyclopentyl methyl ether 3276.72
    gamma-butyrolactone 4832.93
    1-methoxy-2-propanol 762.31
    pyridine 6141.0
    3-pentanone 3452.53
    furfural 3352.42
    n-dodecane 169.85
    diethylene glycol 318.48
    diisopropyl ether 1394.28
    tert-amyl alcohol 889.59
    acetylacetone 3287.01
    n-hexadecane 211.08
    acetophenone 2169.46
    methyl propionate 2765.33
    isopentyl acetate 2746.68
    trichloroethylene 15111.05
    n-nonanol 563.03
    cyclohexanol 1574.4
    benzyl alcohol 965.08
    2-ethylhexanol 940.17
    isooctanol 521.78
    dipropyl ether 2453.85
    1,2-dichlorobenzene 4229.66
    ethyl lactate 509.51
    propylene carbonate 2895.61
    n-methylformamide 1227.07
    2-pentanol 848.52
    n-pentane 834.01
    1-propoxy-2-propanol 908.82
    1-methoxy-2-propyl acetate 1799.18
    2-(2-methoxypropoxy) propanol 660.55
    mesitylene 998.3
    ε-caprolactone 4155.11
    p-cymene 734.02
    epichlorohydrin 6282.54
    1,1,1-trichloroethane 7706.72
    2-aminoethanol 130.81
    morpholine-4-carbaldehyde 2608.8
    sulfolane 3606.37
    2,2,4-trimethylpentane 289.73
    2-methyltetrahydrofuran 3801.63
    n-hexyl acetate 2304.9
    isooctane 216.56
    2-(2-butoxyethoxy)ethanol 905.79
    sec-butyl acetate 1781.07
    tert-butyl acetate 2130.34
    decalin 736.85
    glycerin 91.63
    diglyme 2648.87
    acrylic acid 750.86
    isopropyl myristate 892.56
    n-butyric acid 1765.15
    acetyl acetate 2573.07
    di(2-ethylhexyl) phthalate 498.87
    ethyl propionate 2655.46
    nitromethane 2634.86
    1,2-diethoxyethane 3284.79
    benzonitrile 2246.47
    trioctyl phosphate 399.32
    1-bromopropane 6053.71
    gamma-valerolactone 4592.73
    n-decanol 405.12
    triethyl phosphate 852.88
    4-methyl-2-pentanol 513.67
    propionitrile 2356.38
    vinylene carbonate 2707.83
    1,1,2-trichlorotrifluoroethane 1854.75
    DMS 1890.69
    cumene 975.24
    2-octanol 493.56
    2-hexanone 2362.65
    octyl acetate 1053.05
    limonene 1164.66
    1,2-dimethoxyethane 3192.9
    ethyl orthosilicate 882.49
    tributyl phosphate 638.48
    diacetone alcohol 1027.27
    N,N-dimethylaniline 1519.22
    acrylonitrile 2437.93
    aniline 1933.31
    1,3-propanediol 325.81
    bromobenzene 6329.91
    dibromomethane 9667.5
    1,1,2,2-tetrachloroethane 10988.4
    2-methyl-cyclohexyl acetate 1434.79
    tetrabutyl urea 798.61
    diisobutyl methanol 531.62
    2-phenylethanol 1027.2
    styrene 2527.73
    dioctyl adipate 1086.73
    dimethyl sulfate 1392.05
    ethyl butyrate 2561.78
    methyl lactate 467.77
    butyl lactate 739.0
    diethyl carbonate 1737.66
    propanediol butyl ether 393.62
    triethyl orthoformate 1524.45
    p-tert-butyltoluene 631.57
    methyl 4-tert-butylbenzoate 1170.36
    morpholine 4058.1
    tert-butylamine 802.88
    n-dodecanol 322.13
    dimethoxymethane 2677.38
    ethylene carbonate 2581.84
    cyrene 634.01
    2-ethoxyethyl acetate 1984.66
    2-ethylhexyl acetate 2513.75
    1,2,4-trichlorobenzene 3834.6
    4-methylpyridine 5590.54
    dibutyl ether 2267.1
    2,6-dimethyl-4-heptanol 531.62
    DEF 4059.37
    dimethyl isosorbide 1592.61
    tetrachloroethylene 7299.46
    eugenol 853.88
    triacetin 1461.44
    span 80 627.29
    1,4-butanediol 135.72
    1,1-dichloroethane 8243.95
    2-methyl-1-pentanol 802.62
    methyl formate 1130.59
    2-methyl-1-butanol 989.49
    n-decane 340.65
    butyronitrile 2526.63
    3,7-dimethyl-1-octanol 630.68
    1-chlorooctane 1247.61
    1-chlorotetradecane 442.22
    n-nonane 369.47
    undecane 228.5
    tert-butylcyclohexane 553.55
    cyclooctane 890.8
    cyclopentanol 1092.44
    tetrahydropyran 6074.46
    tert-amyl methyl ether 1713.09
    2,5,8-trioxanonane 1397.24
    1-hexene 2666.35
    2-isopropoxyethanol 611.28
    2,2,2-trifluoroethanol 365.94
    methyl butyrate 3430.58

    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