2,4'-Diphenylmethane diisocyanate

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  • Identifiers

    CAS number
    5873-54-1

    Molecular formula
    C15H10N2O2

    SMILES
    C1=CC=C(C(=C1)CC2=CC=C(C=C2)N=C=O)N=C=O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Spicy 41.58%
    Bitter 35.86%
    Pungent 35.68%
    Green 32.34%
    Sweet 32.33%
    Almond 31.13%
    Nutty 29.96%
    Floral 29.91%
    Cinnamon 27.98%
    Fruity 26.67%

     

    Flavor
    Bitter 63.31%
    Mild 25.61%
    Nitrile 23.93%
    Horseradish 23.89%
    Oily 22.65%
    Gooseberry 22.45%
    Odorless 22.43%
    Chocolate 21.56%
    Red hots 21.52%
    Cinnamon 21.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    6.33 (neutral)

    Molecular weight
    250.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 185.58 ˚C est.

  • Synonyms

    • 5873-54-1
    • o-(p-Isocyanatobenzyl)phenyl isocyanate
    • Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-
    • 2,4'-Diisocyanatodiphenylmethane
    • 1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene
    • 2,4'-Diphenylmethane diisocyanate
    • Diphenylmethane-2,4'-diisocyanate
    • 2,4'-Diphenylmethanediisocyante
    • YVQ6NX5H3Y
    • EINECS 227-534-9
    • CCRIS 8159
    • Benzene, 1-isocyanato-2-((4-isocyanatophenyl)methyl)-
    • Isocyanic acid, diester with 2,4'-methylenediphenol
    • diphenylmethane-2,4-diisocyanate
    • EC 227-534-9
    • DIPHENYLMETHANE 2,4'-DIISOCYANATE
    • 1-ISOCYANATO-2-((4-ISOCYANATOPHENYL)METHYL)BENZENE
    • RefChem:442666
    • Benzene, 1-isocyanato-2-(4-isocyanatophenyl)methyl-
    • 1-isocyanato-2-(4-isocyanatobenzyl)benzene
    • DTXSID9027607
    • 2,4'-methylenediphenyl diisocyanate
    • 1-isocyanato-4-[(2-isocyanatophenyl)methyl]benzene
    • 2 4'-METHYLENEBIS(PHENYL ISOCYANATE)
    • UNII-YVQ6NX5H3Y
    • 1-Isocyanato-2-[(4-isocyanatophenyl)methyl]-benzene;
    • 2,4'-methylenebis(phenyl isocyanate)
    • SCHEMBL27122
    • SCHEMBL8506255
    • diphenylmethan-2,4'-diisocyanat
    • SCHEMBL29368386
    • AKOS015916627
    • FM167986
    • DS-021828
    • NS00004392
    • EN300-18625939
    • Q27294734
    • 5873-54-1

  • Applications

    2,4'-Diphenylmethane diisocyanate (CAS 5873-54-1) is a diisocyanate used primarily as a monomer precursor for polyurethane. Representative real-world applications include: rigid polyurethane foams for insulation and building panels; flexible polyurethane foams for furniture and automotive seating; polyurethanes resins, coatings, and adhesives for metal, wood, and other surfaces; polyurethane elastomers for engineered components, seals, and wear-resistant parts; and polyurethane coatings and films for furniture, wood, and electronics-related applications, formulated by adjusting the polyol system.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.92
    methanol 5.25
    isopropanol 1.77
    water 0.0
    ethyl acetate 9.37
    n-propanol 3.81
    acetone 16.04
    n-butanol 2.57
    acetonitrile 7.4
    DMF 65.18
    toluene 18.91
    isobutanol 1.75
    1,4-dioxane 13.28
    methyl acetate 14.54
    THF 56.18
    2-butanone 30.66
    n-pentanol 3.54
    sec-butanol 2.48
    n-hexane 0.05
    ethylene glycol 1.11
    NMP 38.2
    cyclohexane 0.04
    DMSO 76.18
    n-butyl acetate 11.49
    n-octanol 1.0
    chloroform 47.57
    n-propyl acetate 11.25
    acetic acid 5.98
    dichloromethane 69.4
    cyclohexanone 22.1
    propylene glycol 2.38
    isopropyl acetate 7.7
    DMAc 123.77
    2-ethoxyethanol 15.93
    isopentanol 2.96
    n-heptane 0.07
    ethyl formate 5.39
    1,2-dichloroethane 53.79
    n-hexanol 3.26
    2-methoxyethanol 22.79
    isobutyl acetate 6.54
    tetrachloromethane 0.87
    n-pentyl acetate 5.07
    transcutol 92.56
    n-heptanol 1.85
    ethylbenzene 7.4
    MIBK 10.46
    2-propoxyethanol 18.02
    tert-butanol 2.75
    MTBE 3.88
    2-butoxyethanol 10.18
    propionic acid 4.03
    o-xylene 6.29
    formic acid 2.86
    diethyl ether 3.35
    m-xylene 6.15
    p-xylene 7.44
    chlorobenzene 17.33
    dimethyl carbonate 10.11
    n-octane 0.04
    formamide 10.78
    cyclopentanone 46.84
    2-pentanone 15.19
    anisole 27.05
    cyclopentyl methyl ether 9.71
    gamma-butyrolactone 40.8
    1-methoxy-2-propanol 17.85
    pyridine 70.28
    3-pentanone 11.66
    furfural 48.37
    n-dodecane 0.07
    diethylene glycol 12.29
    diisopropyl ether 1.06
    tert-amyl alcohol 3.33
    acetylacetone 27.57
    n-hexadecane 0.08
    acetophenone 26.61
    methyl propionate 14.38
    isopentyl acetate 11.82
    trichloroethylene 145.16
    n-nonanol 1.31
    cyclohexanol 1.87
    benzyl alcohol 16.66
    2-ethylhexanol 2.91
    isooctanol 1.88
    dipropyl ether 4.17
    1,2-dichlorobenzene 15.77
    ethyl lactate 7.71
    propylene carbonate 14.49
    n-methylformamide 17.39
    2-pentanol 1.51
    n-pentane 0.02
    1-propoxy-2-propanol 12.64
    1-methoxy-2-propyl acetate 21.73
    2-(2-methoxypropoxy) propanol 18.89
    mesitylene 2.45
    ε-caprolactone 18.93
    p-cymene 3.5
    epichlorohydrin 121.1
    1,1,1-trichloroethane 14.17
    2-aminoethanol 3.36
    morpholine-4-carbaldehyde 35.03
    sulfolane 57.27
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 17.51
    n-hexyl acetate 5.87
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 22.49
    sec-butyl acetate 8.43
    tert-butyl acetate 11.16
    decalin 0.2
    glycerin 4.73
    diglyme 53.53
    acrylic acid 5.37
    isopropyl myristate 3.58
    n-butyric acid 5.62
    acetyl acetate 7.23
    di(2-ethylhexyl) phthalate 5.34
    ethyl propionate 11.15
    nitromethane 26.97
    1,2-diethoxyethane 18.39
    benzonitrile 17.4
    trioctyl phosphate 2.53
    1-bromopropane 10.55
    gamma-valerolactone 59.7
    n-decanol 1.16
    triethyl phosphate 6.38
    4-methyl-2-pentanol 1.69
    propionitrile 8.31
    vinylene carbonate 13.35
    1,1,2-trichlorotrifluoroethane 45.13
    DMS 12.82
    cumene 4.07
    2-octanol 0.96
    2-hexanone 16.47
    octyl acetate 4.1
    limonene 3.4
    1,2-dimethoxyethane 34.63
    ethyl orthosilicate 5.61
    tributyl phosphate 3.64
    diacetone alcohol 17.86
    N,N-dimethylaniline 15.0
    acrylonitrile 17.72
    aniline 16.55
    1,3-propanediol 4.25
    bromobenzene 20.9
    dibromomethane 26.93
    1,1,2,2-tetrachloroethane 85.34
    2-methyl-cyclohexyl acetate 9.79
    tetrabutyl urea 6.71
    diisobutyl methanol 2.28
    2-phenylethanol 14.32
    styrene 11.31
    dioctyl adipate 8.08
    dimethyl sulfate 22.45
    ethyl butyrate 10.55
    methyl lactate 10.36
    butyl lactate 7.1
    diethyl carbonate 6.91
    propanediol butyl ether 7.33
    triethyl orthoformate 7.44
    p-tert-butyltoluene 3.11
    methyl 4-tert-butylbenzoate 15.41
    morpholine 21.67
    tert-butylamine 1.17
    n-dodecanol 0.97
    dimethoxymethane 33.85
    ethylene carbonate 7.63
    cyrene 17.24
    2-ethoxyethyl acetate 13.62
    2-ethylhexyl acetate 8.93
    1,2,4-trichlorobenzene 24.73
    4-methylpyridine 48.84
    dibutyl ether 3.22
    2,6-dimethyl-4-heptanol 2.28
    DEF 18.51
    dimethyl isosorbide 39.43
    tetrachloroethylene 27.56
    eugenol 17.3
    triacetin 12.46
    span 80 9.55
    1,4-butanediol 1.8
    1,1-dichloroethane 19.28
    2-methyl-1-pentanol 4.67
    methyl formate 10.59
    2-methyl-1-butanol 2.79
    n-decane 0.09
    butyronitrile 5.8
    3,7-dimethyl-1-octanol 2.3
    1-chlorooctane 0.96
    1-chlorotetradecane 0.52
    n-nonane 0.06
    undecane 0.08
    tert-butylcyclohexane 0.23
    cyclooctane 0.02
    cyclopentanol 2.73
    tetrahydropyran 8.47
    tert-amyl methyl ether 4.61
    2,5,8-trioxanonane 37.94
    1-hexene 0.92
    2-isopropoxyethanol 9.97
    2,2,2-trifluoroethanol 2.05
    methyl butyrate 13.67

    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