1,1'-Oxybis(4-isocyanatobenzene)

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  • Identifiers

    CAS number
    4128-73-8

    Molecular formula
    C14H8N2O3

    SMILES
    C1=CC(=CC=C1N=C=O)OC2=CC=C(C=C2)N=C=O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Nutty 34.53%
    Spicy 32.4%
    Bitter 30.96%
    Burnt 30.31%
    Sweet 29.8%
    Pungent 29.11%
    Odorless 24.93%
    Almond 24.84%
    Roasted 24.71%
    Phenolic 22.65%

     

    Flavor
    Bitter 72.88%
    Odorless 27.09%
    Nitrile 22.37%
    Bread crust 20.15%
    Gooseberry 20.03%
    Urine 20.0%
    Red hots 19.89%
    Very strong 19.68%
    Taco 19.66%
    Roasted peanuts 19.54%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.66 (neutral)

    Molecular weight
    252.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 184.21 ˚C est.

  • Synonyms

    • 1,1'-OXYBIS(4-ISOCYANATOBENZENE)
    • 1-isocyanato-4-(4-isocyanatophenoxy)benzene
    • 4,4'-Diisocyanatodiphenyl ether
    • UNII-FY74W1G2FI
    • FY74W1G2FI
    • Benzene, 1,1'-oxybis(4-isocyanato-
    • 4,4'-BIS(ISOCYANATOPHENYL)OXIDE
    • di(isocyanatophenyl)ether
    • OXYBIS(1,4-PHENYLENE)DIISOCYANATE
    • J164.788A
    • DTXSID6044937
    • OXYBIS(4-PHENYL ISOCYANATE)
    • Benzene, 1,1'-oxybis[4-isocyanato-
    • ISOCYANIC ACID, OXYDI-P-PHENYLENE ESTER
    • 4,4'-DIISOCYANATO(1,1'-OXYBISBENZENE)
    • RefChem:70805
    • DTXCID4024937
    • 626-593-1
    • 4128-73-8
    • 4,4'-Oxybis(phenyl isocyanate)
    • 4,4'-Oxybis(isocyanatobenzene)
    • SCHEMBL50333
    • 4,4-Bis(isocyanatophenyl)oxide
    • MFCD00216648
    • STK369677
    • AKOS005445451
    • FO00269
    • 4,4'-Oxybis(phenyl isocyanate), 96%
    • 4-(4-isocyanatophenoxy)benzenisocyanate
    • NS00007548
    • ST50825948
    • 4,4'-Diisocyanatodiphenyl ether [Diisocyanates]
    • Q27278286
    • 4128-73-8

  • Applications

    1,1'-Oxybis(4-isocyanatobenzene) (CAS 4128-73-8) is a difunctional diisocyanate widely used as an intermediate in polyurethane synthesis, reacting with polyols to form urethane linkages and often serving as a crosslinking or chain-extending component in PU resins. Typical applications include polyurethane foams (rigid and flexible) for insulation and interior components; polyurethane coatings and paints; adhesives and sealants for construction and automotive applications; polyurea and other PU-based elastomer formulations; and use as a crosslinking/curing agent to enhance the durability of polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.66
    methanol 0.67
    isopropanol 0.44
    water 0.0
    ethyl acetate 6.51
    n-propanol 0.51
    acetone 11.26
    n-butanol 0.49
    acetonitrile 8.75
    DMF 20.29
    toluene 4.51
    isobutanol 0.43
    1,4-dioxane 10.43
    methyl acetate 11.18
    THF 35.26
    2-butanone 13.03
    n-pentanol 1.02
    sec-butanol 0.76
    n-hexane 0.19
    ethylene glycol 0.16
    NMP 15.23
    cyclohexane 0.12
    DMSO 59.78
    n-butyl acetate 9.66
    n-octanol 0.92
    chloroform 34.63
    n-propyl acetate 7.92
    acetic acid 2.99
    dichloromethane 52.12
    cyclohexanone 11.82
    propylene glycol 0.27
    isopropyl acetate 5.11
    DMAc 62.36
    2-ethoxyethanol 5.63
    isopentanol 0.8
    n-heptane 0.24
    ethyl formate 4.61
    1,2-dichloroethane 23.95
    n-hexanol 1.1
    2-methoxyethanol 5.23
    isobutyl acetate 4.39
    tetrachloromethane 0.93
    n-pentyl acetate 3.8
    transcutol 28.81
    n-heptanol 0.88
    ethylbenzene 4.66
    MIBK 5.05
    2-propoxyethanol 7.09
    tert-butanol 1.04
    MTBE 3.17
    2-butoxyethanol 4.33
    propionic acid 1.65
    o-xylene 3.23
    formic acid 1.02
    diethyl ether 2.71
    m-xylene 2.34
    p-xylene 6.28
    chlorobenzene 7.59
    dimethyl carbonate 5.35
    n-octane 0.18
    formamide 4.24
    cyclopentanone 20.93
    2-pentanone 6.25
    anisole 14.44
    cyclopentyl methyl ether 5.46
    gamma-butyrolactone 22.45
    1-methoxy-2-propanol 3.83
    pyridine 22.66
    3-pentanone 7.32
    furfural 28.0
    n-dodecane 0.26
    diethylene glycol 4.16
    diisopropyl ether 1.13
    tert-amyl alcohol 1.51
    acetylacetone 16.75
    n-hexadecane 0.31
    acetophenone 16.07
    methyl propionate 6.67
    isopentyl acetate 9.02
    trichloroethylene 60.41
    n-nonanol 1.18
    cyclohexanol 0.8
    benzyl alcohol 5.58
    2-ethylhexanol 1.86
    isooctanol 1.03
    dipropyl ether 4.71
    1,2-dichlorobenzene 9.28
    ethyl lactate 4.62
    propylene carbonate 9.92
    n-methylformamide 4.76
    2-pentanol 0.53
    n-pentane 0.06
    1-propoxy-2-propanol 5.8
    1-methoxy-2-propyl acetate 13.41
    2-(2-methoxypropoxy) propanol 12.63
    mesitylene 1.52
    ε-caprolactone 10.22
    p-cymene 3.31
    epichlorohydrin 43.7
    1,1,1-trichloroethane 11.25
    2-aminoethanol 0.41
    morpholine-4-carbaldehyde 21.16
    sulfolane 31.91
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 10.63
    n-hexyl acetate 5.1
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 10.44
    sec-butyl acetate 6.02
    tert-butyl acetate 6.91
    decalin 0.45
    glycerin 0.8
    diglyme 28.54
    acrylic acid 2.12
    isopropyl myristate 4.17
    n-butyric acid 2.12
    acetyl acetate 6.88
    di(2-ethylhexyl) phthalate 4.47
    ethyl propionate 8.37
    nitromethane 20.63
    1,2-diethoxyethane 14.88
    benzonitrile 10.74
    trioctyl phosphate 2.27
    1-bromopropane 6.73
    gamma-valerolactone 25.61
    n-decanol 1.1
    triethyl phosphate 8.09
    4-methyl-2-pentanol 0.67
    propionitrile 4.59
    vinylene carbonate 9.7
    1,1,2-trichlorotrifluoroethane 19.06
    DMS 11.4
    cumene 3.27
    2-octanol 0.74
    2-hexanone 9.05
    octyl acetate 4.05
    limonene 3.33
    1,2-dimethoxyethane 24.3
    ethyl orthosilicate 6.86
    tributyl phosphate 3.96
    diacetone alcohol 7.08
    N,N-dimethylaniline 10.32
    acrylonitrile 8.98
    aniline 3.68
    1,3-propanediol 0.71
    bromobenzene 10.78
    dibromomethane 22.93
    1,1,2,2-tetrachloroethane 35.19
    2-methyl-cyclohexyl acetate 9.1
    tetrabutyl urea 6.79
    diisobutyl methanol 1.91
    2-phenylethanol 6.19
    styrene 6.35
    dioctyl adipate 8.05
    dimethyl sulfate 16.22
    ethyl butyrate 10.25
    methyl lactate 4.1
    butyl lactate 3.84
    diethyl carbonate 7.95
    propanediol butyl ether 2.78
    triethyl orthoformate 8.75
    p-tert-butyltoluene 2.7
    methyl 4-tert-butylbenzoate 10.86
    morpholine 9.35
    tert-butylamine 0.6
    n-dodecanol 1.07
    dimethoxymethane 11.64
    ethylene carbonate 6.14
    cyrene 10.57
    2-ethoxyethyl acetate 8.93
    2-ethylhexyl acetate 7.69
    1,2,4-trichlorobenzene 12.96
    4-methylpyridine 14.67
    dibutyl ether 4.8
    2,6-dimethyl-4-heptanol 1.91
    DEF 10.51
    dimethyl isosorbide 26.22
    tetrachloroethylene 14.25
    eugenol 11.16
    triacetin 11.88
    span 80 5.76
    1,4-butanediol 0.52
    1,1-dichloroethane 11.91
    2-methyl-1-pentanol 1.58
    methyl formate 5.31
    2-methyl-1-butanol 0.75
    n-decane 0.33
    butyronitrile 3.5
    3,7-dimethyl-1-octanol 1.84
    1-chlorooctane 1.48
    1-chlorotetradecane 1.06
    n-nonane 0.25
    undecane 0.3
    tert-butylcyclohexane 0.42
    cyclooctane 0.07
    cyclopentanol 1.02
    tetrahydropyran 5.33
    tert-amyl methyl ether 3.89
    2,5,8-trioxanonane 24.14
    1-hexene 1.29
    2-isopropoxyethanol 4.38
    2,2,2-trifluoroethanol 1.67
    methyl butyrate 10.47

    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