2,4-Toluene diisocyanate dimer

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  • Identifiers

    CAS number
    26747-90-0

    Molecular formula
    C18H12N4O4

    SMILES
    CC1=C(C=C(C=C1)N2C(=O)N(C2=O)C3=CC(=C(C=C3)C)N=C=O)N=C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 47.8%
    Bitter 27.61%
    Burnt 22.41%
    Fruity 21.55%
    Grape 21.37%
    Roasted 20.82%
    Cooked 19.71%
    Pungent 19.61%
    Nutty 19.6%
    Green 17.77%

     

    Flavor
    Bitter 88.03%
    Odorless 33.3%
    Nitrile 20.04%
    Bread crust 18.95%
    Roasted peanuts 18.44%
    Taco 18.4%
    Very strong 18.35%
    Sweet-like 18.31%
    Bland 18.0%
    Indole 17.79%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    5.23 (weak acid)

    Molecular weight
    348.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    480°C

    Flash point

    • 228.63 ˚C est.

  • Synonyms

    • 2,4-Toluene diisocyanate dimer
    • PZP0846SQD
    • Toluene diisocyanate dimer
    • 2,4-Dioxo-1,3-diazetidine-1,3-bis(methyl-m-phenylene) diisocyanate
    • THANECURE T9 SUPERFINE
    • EINECS 247-953-0
    • 2,4-TOLUENEDIISOCYANATE DIMER
    • ISOCYANIC ACID, (2,4-DIOXO-1,3-URETIDINEDIYL)BIS(METHYL-M-PHENYLENE) ESTER
    • RefChem:443990
    • 247-953-0
    • 1,3-bis(3-isocyanato-4-methylphenyl)-1,3-diazetidine-2,4-dione
    • 26747-90-0
    • TDIC
    • UNII-PZP0846SQD
    • SCHEMBL1987759
    • SCHEMBL29356549
    • SCHEMBL29625309
    • SCHEMBL29625310
    • DTXSID20865315
    • LOCPTSFJZDIICR-UHFFFAOYSA-N
    • NS00050148
    • 26747-90-0

  • Applications

    2,4-Toluene diisocyanate dimer (CAS 26747-90-0) is used as a reactive diisocyanate component in polyurethane chemistry, typically serving as an intermediate for polymer formation; in practice, it is employed in polyurethane polymers and resins, PU foams (rigid and flexible) for insulation and cushioning, polyurethane coatings and sealants, PU adhesives, and elastomeric formulations for industrial applications, with potential use in electronics encapsulation and potting formulations under appropriate formulation controls and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.41
    methanol 0.49
    isopropanol 0.22
    water 0.0
    ethyl acetate 1.56
    n-propanol 0.37
    acetone 3.04
    n-butanol 0.27
    acetonitrile 1.52
    DMF 13.4
    toluene 1.54
    isobutanol 0.22
    1,4-dioxane 3.01
    methyl acetate 2.82
    THF 13.39
    2-butanone 4.58
    n-pentanol 0.27
    sec-butanol 0.29
    n-hexane 0.02
    ethylene glycol 0.14
    NMP 29.14
    cyclohexane 0.02
    DMSO 16.9
    n-butyl acetate 1.58
    n-octanol 0.06
    chloroform 10.78
    n-propyl acetate 1.4
    acetic acid 1.45
    dichloromethane 13.12
    cyclohexanone 5.79
    propylene glycol 0.21
    isopropyl acetate 0.96
    DMAc 27.29
    2-ethoxyethanol 1.69
    isopentanol 0.26
    n-heptane 0.01
    ethyl formate 1.29
    1,2-dichloroethane 5.67
    n-hexanol 0.19
    2-methoxyethanol 3.1
    isobutyl acetate 0.71
    tetrachloromethane 0.36
    n-pentyl acetate 0.68
    transcutol 2.63
    n-heptanol 0.15
    ethylbenzene 0.58
    MIBK 1.03
    2-propoxyethanol 2.63
    tert-butanol 0.29
    MTBE 0.39
    2-butoxyethanol 1.27
    propionic acid 1.0
    o-xylene 0.7
    formic acid 0.99
    diethyl ether 0.46
    m-xylene 0.63
    p-xylene 0.99
    chlorobenzene 2.78
    dimethyl carbonate 2.67
    n-octane 0.01
    formamide 2.74
    cyclopentanone 14.08
    2-pentanone 2.03
    anisole 2.1
    cyclopentyl methyl ether 1.52
    gamma-butyrolactone 13.77
    1-methoxy-2-propanol 2.03
    pyridine 11.04
    3-pentanone 2.04
    furfural 14.07
    n-dodecane 0.01
    diethylene glycol 1.65
    diisopropyl ether 0.1
    tert-amyl alcohol 0.36
    acetylacetone 3.92
    n-hexadecane 0.01
    acetophenone 3.48
    methyl propionate 2.57
    isopentyl acetate 1.51
    trichloroethylene 22.28
    n-nonanol 0.09
    cyclohexanol 0.3
    benzyl alcohol 1.67
    2-ethylhexanol 0.21
    isooctanol 0.14
    dipropyl ether 0.47
    1,2-dichlorobenzene 2.78
    ethyl lactate 1.21
    propylene carbonate 4.29
    n-methylformamide 3.61
    2-pentanol 0.15
    n-pentane 0.01
    1-propoxy-2-propanol 1.64
    1-methoxy-2-propyl acetate 3.12
    2-(2-methoxypropoxy) propanol 2.45
    mesitylene 0.27
    ε-caprolactone 4.33
    p-cymene 0.35
    epichlorohydrin 20.92
    1,1,1-trichloroethane 3.15
    2-aminoethanol 0.36
    morpholine-4-carbaldehyde 11.76
    sulfolane 25.04
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.81
    n-hexyl acetate 0.5
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 1.77
    sec-butyl acetate 0.91
    tert-butyl acetate 1.15
    decalin 0.03
    glycerin 0.67
    diglyme 5.21
    acrylic acid 1.59
    isopropyl myristate 0.37
    n-butyric acid 1.15
    acetyl acetate 1.35
    di(2-ethylhexyl) phthalate 0.92
    ethyl propionate 1.6
    nitromethane 7.37
    1,2-diethoxyethane 1.1
    benzonitrile 2.54
    trioctyl phosphate 0.4
    1-bromopropane 1.41
    gamma-valerolactone 15.78
    n-decanol 0.08
    triethyl phosphate 1.39
    4-methyl-2-pentanol 0.12
    propionitrile 1.36
    vinylene carbonate 4.04
    1,1,2-trichlorotrifluoroethane 12.0
    DMS 2.12
    cumene 0.34
    2-octanol 0.07
    2-hexanone 1.94
    octyl acetate 0.46
    limonene 0.35
    1,2-dimethoxyethane 5.3
    ethyl orthosilicate 1.01
    tributyl phosphate 0.63
    diacetone alcohol 1.97
    N,N-dimethylaniline 1.55
    acrylonitrile 3.32
    aniline 1.95
    1,3-propanediol 0.55
    bromobenzene 3.24
    dibromomethane 5.09
    1,1,2,2-tetrachloroethane 12.41
    2-methyl-cyclohexyl acetate 1.7
    tetrabutyl urea 1.26
    diisobutyl methanol 0.17
    2-phenylethanol 1.66
    styrene 0.86
    dioctyl adipate 1.09
    dimethyl sulfate 7.67
    ethyl butyrate 1.6
    methyl lactate 2.02
    butyl lactate 0.91
    diethyl carbonate 1.37
    propanediol butyl ether 0.56
    triethyl orthoformate 1.36
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 2.4
    morpholine 3.94
    tert-butylamine 0.13
    n-dodecanol 0.07
    dimethoxymethane 4.64
    ethylene carbonate 2.36
    cyrene 4.51
    2-ethoxyethyl acetate 1.56
    2-ethylhexyl acetate 1.2
    1,2,4-trichlorobenzene 4.8
    4-methylpyridine 7.03
    dibutyl ether 0.2
    2,6-dimethyl-4-heptanol 0.17
    DEF 3.34
    dimethyl isosorbide 7.38
    tetrachloroethylene 4.96
    eugenol 2.55
    triacetin 1.54
    span 80 1.27
    1,4-butanediol 0.2
    1,1-dichloroethane 3.01
    2-methyl-1-pentanol 0.34
    methyl formate 3.0
    2-methyl-1-butanol 0.28
    n-decane 0.01
    butyronitrile 1.02
    3,7-dimethyl-1-octanol 0.12
    1-chlorooctane 0.07
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 0.67
    tetrahydropyran 1.45
    tert-amyl methyl ether 0.49
    2,5,8-trioxanonane 4.15
    1-hexene 0.15
    2-isopropoxyethanol 0.98
    2,2,2-trifluoroethanol 0.8
    methyl butyrate 2.27

    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