Methylene Diphenyl Diisocyanate

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  • Identifiers

    CAS number
    101-68-8

    Molecular formula
    C15H10N2O2

    SMILES
    C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Spicy 44.74%
    Sweet 38.61%
    Bitter 38.25%
    Pungent 36.73%
    Almond 35.17%
    Cinnamon 32.55%
    Green 31.57%
    Nutty 31.13%
    Floral 30.89%
    Cherry 29.26%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.39 [mmHg]. Odor threshold from AIHA
    • Odor Threshold Low: 0.4 [mmHg]. Odor threshold from IUCLID
    • MDI is reported to be odorless.

  • Properties

    XLogP3-AA
    5.4

    Molecular weight
    250.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 99 °F (NTP, 1992)
    • 37 °C
    • 99 °F

    Boiling point

    • 381 to 390 °F at 5 mmHg (NTP, 1992)
    • BP: 196 °C at 5 mm Hg
    • at 100kPa: 314 °C
    • 597 °F

    Flash point est.
    188.37 ˚C

    Flash point expt.

    • 425 °F (NTP, 1992)
    • 396 °F (OPEN CUP)
    • 196 °C c.c.
    • 390 °F

    Solubility expt.

    • Insoluble (NTP, 1992)
    • Soluble in acetone, benzene, kerosene, and nitrobenzene
    • Solubility in water: reaction
    • 0.2%

  • Synonyms

    • 101-68-8
    • 4,4'-Diphenylmethane diisocyanate
    • Diphenylmethane diisocyanate
    • 4,4'-Methylenebis(phenyl isocyanate)
    • Bis(4-isocyanatophenyl)methane
    • Methylene diphenyl diisocyanate
    • p,p'-Diphenylmethane diisocyanate
    • 1,1'-Methylenebis(4-isocyanatobenzene)
    • Methylbisphenyl isocyanate
    • Isonate
    • 4,4'-Diisocyanatodiphenylmethane
    • 4,4'-Methylenediphenyl diisocyanate
    • Desmodur 44
    • Methylene bisphenyl isocyanate
    • Benzene, 1,1'-methylenebis[4-isocyanato-
    • Diphenylmethyl diisocyanate
    • Bis(p-isocyanatophenyl)methane
    • diphenylmethane-4,4'-diisocyanate
    • Caradate 30
    • Nacconate 300
    • Isonate 125M
    • Bis(1,4-isocyanatophenyl)methane
    • Methylenebis(4-phenyl isocyanate)
    • 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
    • Isonate 125 MF
    • Diphenyl methane diisocyanate
    • Diphenylmethan-4,4'-diisocyanat
    • Methylenebis(4-isocyanatobenzene)
    • Methylenebis(p-phenyl isocyanate)
    • Hylene M50
    • Methylenedi-p-phenylene diisocyanate
    • Methylenebis(p-phenylene isocyanate)
    • Methylenebis(4-phenylene isocyanate)
    • 4,4'-Methylenediphenylene isocyanate
    • p,p'-Methylenebis(phenyl isocyanate)
    • Bis(para-isocyanatophenyl)methane
    • 4,4'-Methylenedi-p-phenylene diisocyanate
    • Methylenediphenyl diisocyanate
    • 4,4'-Methylenediphenyl isocyanate
    • MDI
    • Methylene di-p-phenylene isocyanate
    • Rubinate 44
    • Methylenebis(para-phenyl isocyanate)
    • Di-(4-isocyanatophenyl)methane
    • 26447-40-5
    • 4,4'-Methylenedi(phenyl isocyanate)
    • 4-4'-Diisocyanate de diphenylmethane
    • Methylenebis(para-phenylene isocyanate)
    • Methylenedi-para-phenylene diisocyanate
    • para,para'-Diphenylmethane diisocyanate
    • NCI-C50668
    • Generic MDI
    • para,para'-Methylenebis(phenyl isocyanate)
    • Crude MDI
    • Difenil-metan-diisocianato
    • 4,4'-Methylenediphenylene diisocyanate
    • Pure MDI
    • 4,4'-MDI
    • PMDI
    • Isocyanic acid, methylenedi-p-phenylene ester
    • methylenebis(phenyl isocyanate)
    • CCRIS 2303
    • DTXSID7025180
    • MDR
    • CHEBI:53218
    • Methylenedi-p-phenyl diisocyanate
    • HSDB 2630
    • B0LO6BBS8C
    • Difenylmethaan-dissocyanaat
    • Diphenylmethane 4,4'-diisocyanate
    • Isocyanic acid, ester with diphenylmethane
    • Non-isomeric-specific MDI
    • NSC 9596
    • EINECS 202-966-0
    • EINECS 247-714-0
    • 4,4'-methylene diphenyl diisocyanate
    • Methylenebisphenyl diisocyanate
    • BRN 0797662
    • CCRIS 8160
    • Benzene, 1,1'-methylenebis(isocyanato-
    • Methylenedi(p-phenyl isocyanate)
    • Diphenylmethan-4,4'-diisocyanat [German]
    • AI3-15256
    • Benzene, 1,1'-methylenebis(4-isocyanato-
    • Diphenylmethane p,p'-diisocyanate
    • 4,4'-methylenediphenyldiisocyanate
    • Methylenedi(p-phenylene isocyanate)
    • 4,4/'-Diphenylmethane diisocyanate
    • NSC-9596
    • 4-4'-Diisocyanate de diphenylmethane [French]
    • 4,4'-methylenebis(phenylisocyanate)
    • Difenylmethaan-diisocyanaat
    • Methylenedi(p-phenylene diisocyanate)
    • 4,4'-Diisocyanate de diphenylmethane
    • 4,4'-,2,4'-,2,2'-Diisocyanatodiphenylmethane
    • 4,4'-Methylenedi(phenylene isocyanate)
    • diphenylmethylene diisocyanate
    • Benzene, 1,1'-methylenebis[isocyanato-
    • 4,4'diisocyanatodiphenylmethane
    • DTXCID704196
    • 4,4'diphenylmethane diisocyanate
    • Diphenylmethane 4,4-diisocyanate
    • methylenebisphenylene diisocyanate
    • Methylenebis[4-isocyanatobenzene]
    • Methylenebis[p-phenyl isocyanate]
    • Methylenebis[4-phenyl isocyanate]
    • EC 202-966-0
    • 6152ASV70I
    • 4-13-00-00396 (Beilstein Handbook Reference)
    • Methylenebis[p-phenylene isocyanate]
    • Methylenebis[4-phenylene isocyanate]
    • p,p'-Methylenebis[phenyl isocyanate]
    • 4,4'-Methylenebis[phenyl isocyanate]
    • Methylenebis(4,4'-phenyl isocyanate)
    • Isocyanic acid, diphenylmethylene ester
    • 4,4'-Methylenedi(phenyl diisocyanate)
    • METHYLENEDIPHENYLDIISOCYANATE, 4,4'-
    • METHYLENE BISPHENYL DIISOCYANATE [HSDB]
    • 1,1'-methylenebis[4-isocyanatobenzene]
    • 4,?4'-?Methylenebis(phenyl Isocyanate)
    • Benzene, 1,1'-methylenebis(isocyanato)-
    • Benzene, 1,1'-methylenebis[isocyanato]-
    • Methylenebis(phenylisocyanate)
    • 4,4'-Diphenylmethanediisocyante
    • Benzene, (1,1'-methylenebis(4-isocyanato-)
    • Benzene, {1,1'-methylenebis[4-isocyanato-}
    • Difenylmethaan-dissocyanaat [Dutch]
    • DIPHENYLMETHAN-4,4'-DIISOCYANAT (GERMAN)

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.25
    methanol 1.25
    isopropanol 0.65
    water 0.0
    ethyl acetate 4.6
    n-propanol 1.03
    acetone 9.47
    n-butanol 0.83
    acetonitrile 3.89
    DMF 39.08
    toluene 6.93
    isobutanol 0.65
    1,4-dioxane 6.24
    methyl acetate 7.76
    THF 42.96
    2-butanone 17.5
    n-pentanol 1.25
    sec-butanol 1.11
    n-hexane 0.09
    ethylene glycol 0.27
    NMP 31.51
    cyclohexane 0.04
    DMSO 52.92
    n-butyl acetate 6.72
    n-octanol 0.43
    chloroform 36.87
    n-propyl acetate 5.64
    acetic acid 2.51
    dichloromethane 52.39
    cyclohexanone 12.5
    propylene glycol 0.78
    isopropyl acetate 4.1
    DMAc 83.56
    2-ethoxyethanol 6.65
    isopentanol 1.09
    n-heptane 0.08
    ethyl formate 2.85
    1,2-dichloroethane 31.94
    n-hexanol 1.21
    2-methoxyethanol 7.96
    isobutyl acetate 3.2
    tetrachloromethane 0.76
    n-pentyl acetate 2.55
    transcutol 40.31
    n-heptanol 0.69
    ethylbenzene 4.22
    MIBK 5.15
    2-propoxyethanol 8.37
    tert-butanol 1.2
    MTBE 2.69
    2-butoxyethanol 4.33
    propionic acid 1.84
    o-xylene 3.4
    formic acid 1.17
    diethyl ether 1.98
    m-xylene 3.03
    p-xylene 4.68
    chlorobenzene 8.48
    dimethyl carbonate 4.91
    n-octane 0.04
    formamide 4.76
    cyclopentanone 35.15
    2-pentanone 7.48
    anisole 15.64
    cyclopentyl methyl ether 6.67
    gamma-butyrolactone 29.57
    1-methoxy-2-propanol 7.49
    pyridine 30.79
    3-pentanone 7.27
    furfural 31.89
    n-dodecane 0.05
    diethylene glycol 4.84
    diisopropyl ether 0.72
    tert-amyl alcohol 1.79
    acetylacetone 15.03
    n-hexadecane 0.06
    acetophenone 16.03
    methyl propionate 6.89
    isopentyl acetate 6.84
    trichloroethylene 92.59
    n-nonanol 0.56
    cyclohexanol 0.85
    benzyl alcohol 7.09
    2-ethylhexanol 1.44
    isooctanol 0.78
    dipropyl ether 2.96
    1,2-dichlorobenzene 9.17
    ethyl lactate 4.32
    propylene carbonate 9.42
    n-methylformamide 7.39
    2-pentanol 0.72
    n-pentane 0.03
    1-propoxy-2-propanol 6.54
    1-methoxy-2-propyl acetate 13.85
    2-(2-methoxypropoxy) propanol 10.9
    mesitylene 1.37
    ε-caprolactone 9.77
    p-cymene 2.23
    epichlorohydrin 73.29
    1,1,1-trichloroethane 10.83
    2-aminoethanol 0.88
    morpholine-4-carbaldehyde 23.47
    sulfolane 47.02
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 11.93
    n-hexyl acetate 2.91
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 10.33
    sec-butyl acetate 4.52
    tert-butyl acetate 6.31
    decalin 0.18
    glycerin 1.67
    diglyme 29.07
    acrylic acid 2.5
    isopropyl myristate 1.87
    n-butyric acid 2.44
    acetyl acetate 3.84
    di(2-ethylhexyl) phthalate 2.72
    ethyl propionate 6.06
    nitromethane 15.51
    1,2-diethoxyethane 9.91
    benzonitrile 8.35
    trioctyl phosphate 1.19
    1-bromopropane 7.7
    gamma-valerolactone 37.05
    n-decanol 0.47
    triethyl phosphate 4.64
    4-methyl-2-pentanol 0.8
    propionitrile 3.48
    vinylene carbonate 7.63
    1,1,2-trichlorotrifluoroethane 28.83
    DMS 7.79
    cumene 2.5
    2-octanol 0.42
    2-hexanone 8.81
    octyl acetate 1.94
    limonene 2.39
    1,2-dimethoxyethane 18.79
    ethyl orthosilicate 4.03
    tributyl phosphate 2.02
    diacetone alcohol 8.96
    N,N-dimethylaniline 9.93
    acrylonitrile 7.74
    aniline 6.53
    1,3-propanediol 1.21
    bromobenzene 11.29
    dibromomethane 21.78
    1,1,2,2-tetrachloroethane 55.75
    2-methyl-cyclohexyl acetate 6.64
    tetrabutyl urea 3.78
    diisobutyl methanol 1.31
    2-phenylethanol 6.63
    styrene 6.13
    dioctyl adipate 4.51
    dimethyl sulfate 15.22
    ethyl butyrate 6.56
    methyl lactate 5.17
    butyl lactate 3.61
    diethyl carbonate 4.42
    propanediol butyl ether 3.2
    triethyl orthoformate 5.15
    p-tert-butyltoluene 2.05
    methyl 4-tert-butylbenzoate 9.09
    morpholine 10.23
    tert-butylamine 0.64
    n-dodecanol 0.39
    dimethoxymethane 16.94
    ethylene carbonate 4.07
    cyrene 10.82
    2-ethoxyethyl acetate 6.99
    2-ethylhexyl acetate 5.44
    1,2,4-trichlorobenzene 14.83
    4-methylpyridine 22.22
    dibutyl ether 1.91
    2,6-dimethyl-4-heptanol 1.31
    DEF 10.2
    dimethyl isosorbide 27.61
    tetrachloroethylene 16.35
    eugenol 9.45
    triacetin 7.27
    span 80 4.91
    1,4-butanediol 0.58
    1,1-dichloroethane 12.85
    2-methyl-1-pentanol 1.79
    methyl formate 5.76
    2-methyl-1-butanol 1.08
    n-decane 0.07
    butyronitrile 2.58
    3,7-dimethyl-1-octanol 1.1
    1-chlorooctane 0.56
    1-chlorotetradecane 0.29
    n-nonane 0.05
    undecane 0.06
    tert-butylcyclohexane 0.21
    cyclooctane 0.02
    cyclopentanol 1.41
    tetrahydropyran 4.52
    tert-amyl methyl ether 3.42
    2,5,8-trioxanonane 21.43
    1-hexene 1.01
    2-isopropoxyethanol 4.4
    2,2,2-trifluoroethanol 1.06
    methyl butyrate 7.36

    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