2,4-Diisocyanato-1-methylbenzene

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  • Identifiers

    CAS number
    584-84-9

    Molecular formula
    C9H6N2O2

    SMILES
    CC1=C(C=C(C=C1)N=C=O)N=C=O

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Pungent 40.61%
    Odorless 30.79%
    Bitter 30.7%
    Burnt 29.6%
    Nutty 28.99%
    Spicy 27.83%
    Radish 25.45%
    Roasted 24.52%
    Green 24.5%
    Almond 23.76%

     

    Flavor
    Bitter 66.19%
    Odorless 32.43%
    Nutty 26.01%
    Nitrile 22.7%
    Bread crust 21.75%
    Roasted peanuts 21.14%
    Taco 21.09%
    Formyl 20.72%
    Very strong 20.04%
    Urine 19.82%

     

    Odor impact est.
    Low

    Odor threshold

    • Odor Threshold Low: 0.05 [mmHg]. Odor Threshold High: 2.4 [mmHg]. Odor threshold from CHEMINFO. [ICSC] Odor threshold = 50 ppb with about 1/2 of volunteers detecting and identifying the material at 400 ppb
    • Odor Threshold Low: 0.05 [mmHg]
    • The odor threshold is 0.4 ppm in about half of the subjects.
    • 0.4-2.14 ppm /Purity not specified/
    • Air: 0.17 uL/L; odor safety class E; E= Less than 10% of attentive persons can detect the TLV.
    • Odor recognition in air: 2.10 ppm (purity)
    • Odor low= 3.2 mg/cu m; High= 17.12 mg/cu m
    • TOLUENE DIISOCYANATE HAS MARKED CHARACTERISTIC ODOR WHICH ALLOWS IT TO BE DETECTED READILY. YET @ MAX RECOMMENDED CONCN (0.02 PPM) THE POISON CANNOT BE DETECTED BY ITS SMELL.
    • The reported odor threshold for TDI is 360-920 ug/cu m

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.8 (neutral)

    Molecular weight
    174.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 67.1 to 70.7 °F (NTP, 1992)
    • 67.1 to 70.7 °F (EPA, 1998)
    • 20.5 °C
    • MP: 11-14 °C (freezing point)
    • 22 °C
    • 67.1-70.7 °F
    • 71 °F

    Boiling point

    • 484 °F at 760 mmHg (NTP, 1992)
    • 484 °F at 760 mmHg (EPA, 1998)
    • 251 °C
    • BP: 126 °C at 11 mm Hg. Reacts with water with evolution of carbon dioxide.
    • Specific gravity: 1.22 at 25 °C; BP: 250 °C; FP: 11.3-13.5 °C /80% 2,4:20% 2,6/
    • 125 °C; density: 1.22 g/mL at 25 °C /Toluene diisocyanate/
    • 484 °F

    Flash point

    • 121.06 ˚C est.
    • 250 °F (NTP, 1992)
    • 270 °F (EPA, 1998)
    • 127 °C
    • 260 °F (127 °C)
    • 270 °F CLOSED CUP /80% 2,4:20% 2,6/
    • 127 °C c.c.
    • 270 °F for an 80/20% 2,4/ 2,6 TDI mixture
    • 260 °F

    Solubility expt.

    • Reacts with water (NTP, 1992)
    • Decomposes (NTP, 1992)
    • Very soluble in acetone, benzene, ethyl ether
    • Soluble in ether. acetone, and other organic solvents
    • Miscible with alcohol (decomposition). Miscible with ether, acetone, benzene, carbon tetrachloride, chlorobenzene, diglycol monomethyl ether, kerosene, olive oil
    • Solubility in water: reaction
    • Insoluble

  • Synonyms

    • 2,4-Diisocyanato-1-methylbenzene
    • 584-84-9
    • TOLUENE DIISOCYANATE
    • 2,4-Toluene diisocyanate
    • 2,4-Diisocyanatotoluene
    • Tolylene-2,4-diisocyanate
    • TOLUENE 2,4-DIISOCYANATE
    • Toluene-2,4-diisocyanate
    • Tolylene diisocyanate
    • 2,4-Tolylene diisocyanate
    • 4-Methyl-m-phenylene diisocyanate
    • 2,4-TDI
    • Benzene, 2,4-diisocyanato-1-methyl-
    • Toluylene-2,4-diisocyanate
    • Hylene tlc
    • Tolylene 2,4-diisocyanate
    • Di-iso-cyanatoluene
    • TDI
    • Hylene T
    • Diisocyanat-toluol
    • Mondur TD
    • Toluen-disocianato
    • Mondur TDS
    • Tuluylendiisocyanat
    • 2,4-Toluenediisocyanate
    • Desmodur T80
    • Tolueen-diisocyanaat
    • Toluilenodwuizocyjanian
    • Mondur TD-80
    • Cresorcinol diisocyanate
    • Isocyanic acid, 4-methyl-m-phenylene ester
    • Tolyene 2,4-diisocyanate
    • Di-isocyanate de toluylene
    • RCRA waste number U223
    • NCI-C50533
    • NSC 4791
    • TDI-80
    • 4-Methyl-1,3-phenylene diisocyanate
    • Nacconate 100
    • toluene-2,4-diyl diisocyanate
    • 4-Methyl-m-phenylene isocyanate
    • 1321-38-6
    • DTXSID7026156
    • CHEBI:53556
    • MFCD00002011
    • 17X7AFZ1GH
    • CHEMBL1086446
    • NSC-4791
    • Isocyanic acid, methylphenylene ester
    • NSC-56759
    • Nacconate IOO
    • WLN: OCNR B1 ENCO
    • DTXCID901361
    • Benzene,4-diisocyanato-1-methyl-
    • Toluene diisocyanate, commercial grade (2,4 (80%)- and 2,6 (20%)-)
    • Diisocyanat-toluol [German]
    • Tuluylendiisocyanat [German]
    • NSC 56759
    • Tolueen-diisocyanaat [Dutch]
    • Toluen-disocianato [Italian]
    • CAS-584-84-9
    • Toluene, 2,4-diisocyanato-
    • CCRIS 3742
    • HSDB 874
    • Toluilenodwuizocyjanian [Polish]
    • 2,4-diisocyanato-1-methyl-benzene
    • Di-isocyanate de toluylene [French]
    • EINECS 209-544-5
    • Isocyanic-14C acid, 4-methyl-m-phenylene ester
    • UNII-17X7AFZ1GH
    • 2,4-Toluylene Diisocyanate
    • BRN 0744602
    • Hylene tcpa
    • AI3-15101
    • Hylene trf
    • Hylene tm
    • tolylenediisocyanate
    • Hylene tm-65
    • 4963-53-5
    • 2,4-tolylenediisocyanate
    • Rubinate TDI 80/20
    • 2,4-DIISOCYANATE
    • DSSTox_CID_1361
    • Epitope ID:115138
    • 4-methyl-m-phenylene ester
    • EC 209-544-5
    • Benzene, diisocyanatomethyl-
    • DSSTox_RID_77374
    • DSSTox_GSID_24341
    • SCHEMBL15384
    • 2,4-TDI, analytical standard
    • 2,4-Diisocyanato-1-methylbenzene [Toluenediisocyanates]
    • NSC4791
    • Tolylene-2,4-diisocyanate, 95%
    • TOLUENE 2,4-DI-ISOCYANATE
    • NSC56759
    • TOLUENE DIISOCYANATE, 2,4-
    • Tox21_200144
    • Tox21_202058
    • Tox21_300160
    • BDBM50318488
    • STL301891
    • Tolylene Diisocyanate (2,4, 2,6)
    • AKOS000119430
    • TOLUENE 2,4-DIISOCYANATE [MI]
    • Toluene-2,4-diisocyanate, tech. 80%
    • NCGC00091095-01
    • NCGC00091095-02
    • NCGC00091095-03
    • NCGC00091095-04
    • NCGC00091095-05
    • NCGC00253965-01
    • NCGC00257698-01
    • NCGC00259607-01
    • TOLUENE 2,4-DIISOCYANATE [HSDB]
    • BS-44197
    • FT160363
    • Tolylene Diisocyanate (MIX OF ISOMERS)
    • 2,4- & 2,6-TOLUENE DIISOCYANATE
    • CAS-26471-62-5
    • NS00005144
    • T0263
    • EN300-20220
    • A831895
    • Q415183
    • Tolylene-2,4-diisocyanate, technical grade, 80%
    • Z104477324
    • Toluene 2,4-diisocyanate, purum, for electron microscopy, >=98.0% (GC)

  • Applications

    2,4-Diisocyanato-1-methylbenzene (CAS 584-84-9) is a diisocyanate monomer widely used in polyurethane production and related polymers. Key applications include rigid and flexible polyurethane foams (insulation, furniture and bedding), polyurethane coatings and varnishes, adhesives and sealants for industrial use, as well as elastomeric materials and polyurea coatings for surfaces and protective finishes; it also serves as a precursor for polyurethane prepolymers and polymer networks and can act as a crosslinking/chain-extending reagent in polyurethane and polyurea systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.93
    methanol 10.23
    isopropanol 3.42
    water 0.01
    ethyl acetate 17.74
    n-propanol 4.6
    acetone 33.26
    n-butanol 3.7
    acetonitrile 15.05
    DMF 99.38
    toluene 16.04
    isobutanol 2.61
    1,4-dioxane 22.82
    methyl acetate 25.94
    THF 83.85
    2-butanone 34.96
    n-pentanol 3.53
    sec-butanol 3.51
    n-hexane 0.15
    ethylene glycol 2.41
    NMP 171.26
    cyclohexane 0.11
    DMSO 163.76
    n-butyl acetate 17.33
    n-octanol 1.77
    chloroform 23.86
    n-propyl acetate 11.82
    acetic acid 9.46
    dichloromethane 46.92
    cyclohexanone 30.19
    propylene glycol 2.7
    isopropyl acetate 10.73
    DMAc 116.82
    2-ethoxyethanol 18.03
    isopentanol 3.99
    n-heptane 0.19
    ethyl formate 12.34
    1,2-dichloroethane 37.11
    n-hexanol 4.93
    2-methoxyethanol 34.48
    isobutyl acetate 5.98
    tetrachloromethane 1.72
    n-pentyl acetate 8.45
    transcutol 105.26
    n-heptanol 2.72
    ethylbenzene 7.62
    MIBK 11.18
    2-propoxyethanol 25.54
    tert-butanol 5.5
    MTBE 6.58
    2-butoxyethanol 13.72
    propionic acid 7.28
    o-xylene 8.77
    formic acid 8.4
    diethyl ether 6.85
    m-xylene 8.83
    p-xylene 8.91
    chlorobenzene 22.18
    dimethyl carbonate 18.37
    n-octane 0.07
    formamide 27.71
    cyclopentanone 69.61
    2-pentanone 19.78
    anisole 29.66
    cyclopentyl methyl ether 18.4
    gamma-butyrolactone 83.15
    1-methoxy-2-propanol 22.02
    pyridine 58.52
    3-pentanone 15.93
    furfural 94.24
    n-dodecane 0.08
    diethylene glycol 21.39
    diisopropyl ether 1.8
    tert-amyl alcohol 5.66
    acetylacetone 35.05
    n-hexadecane 0.1
    acetophenone 30.97
    methyl propionate 23.14
    isopentyl acetate 15.97
    trichloroethylene 92.16
    n-nonanol 1.89
    cyclohexanol 2.94
    benzyl alcohol 17.77
    2-ethylhexanol 3.96
    isooctanol 2.43
    dipropyl ether 5.56
    1,2-dichlorobenzene 22.09
    ethyl lactate 9.72
    propylene carbonate 32.37
    n-methylformamide 37.16
    2-pentanol 2.27
    n-pentane 0.09
    1-propoxy-2-propanol 16.83
    1-methoxy-2-propyl acetate 29.14
    2-(2-methoxypropoxy) propanol 26.39
    mesitylene 3.92
    ε-caprolactone 28.47
    p-cymene 4.76
    epichlorohydrin 127.29
    1,1,1-trichloroethane 17.13
    2-aminoethanol 4.86
    morpholine-4-carbaldehyde 89.17
    sulfolane 133.78
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 37.27
    n-hexyl acetate 10.19
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 26.98
    sec-butyl acetate 8.34
    tert-butyl acetate 15.8
    decalin 0.36
    glycerin 7.03
    diglyme 64.4
    acrylic acid 10.26
    isopropyl myristate 4.42
    n-butyric acid 8.3
    acetyl acetate 11.79
    di(2-ethylhexyl) phthalate 8.69
    ethyl propionate 13.73
    nitromethane 53.91
    1,2-diethoxyethane 18.95
    benzonitrile 20.41
    trioctyl phosphate 4.28
    1-bromopropane 9.61
    gamma-valerolactone 82.77
    n-decanol 1.48
    triethyl phosphate 9.51
    4-methyl-2-pentanol 2.06
    propionitrile 10.07
    vinylene carbonate 25.0
    1,1,2-trichlorotrifluoroethane 57.35
    DMS 23.07
    cumene 4.54
    2-octanol 1.49
    2-hexanone 14.97
    octyl acetate 5.99
    limonene 5.07
    1,2-dimethoxyethane 39.31
    ethyl orthosilicate 7.75
    tributyl phosphate 6.21
    diacetone alcohol 23.69
    N,N-dimethylaniline 19.0
    acrylonitrile 22.06
    aniline 19.72
    1,3-propanediol 7.08
    bromobenzene 23.07
    dibromomethane 20.79
    1,1,2,2-tetrachloroethane 49.82
    2-methyl-cyclohexyl acetate 12.88
    tetrabutyl urea 10.85
    diisobutyl methanol 2.6
    2-phenylethanol 18.84
    styrene 10.87
    dioctyl adipate 10.81
    dimethyl sulfate 51.89
    ethyl butyrate 12.75
    methyl lactate 16.33
    butyl lactate 10.12
    diethyl carbonate 10.39
    propanediol butyl ether 12.23
    triethyl orthoformate 9.35
    p-tert-butyltoluene 4.45
    methyl 4-tert-butylbenzoate 20.84
    morpholine 32.0
    tert-butylamine 2.38
    n-dodecanol 1.1
    dimethoxymethane 41.8
    ethylene carbonate 15.16
    cyrene 29.24
    2-ethoxyethyl acetate 21.25
    2-ethylhexyl acetate 12.0
    1,2,4-trichlorobenzene 33.87
    4-methylpyridine 59.16
    dibutyl ether 3.52
    2,6-dimethyl-4-heptanol 2.6
    DEF 29.66
    dimethyl isosorbide 59.81
    tetrachloroethylene 23.09
    eugenol 23.39
    triacetin 18.17
    span 80 14.04
    1,4-butanediol 2.52
    1,1-dichloroethane 18.54
    2-methyl-1-pentanol 4.52
    methyl formate 28.84
    2-methyl-1-butanol 3.8
    n-decane 0.12
    butyronitrile 7.73
    3,7-dimethyl-1-octanol 2.94
    1-chlorooctane 1.18
    1-chlorotetradecane 0.56
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.36
    cyclooctane 0.06
    cyclopentanol 5.75
    tetrahydropyran 11.77
    tert-amyl methyl ether 7.65
    2,5,8-trioxanonane 48.08
    1-hexene 1.44
    2-isopropoxyethanol 11.11
    2,2,2-trifluoroethanol 5.35
    methyl butyrate 16.98

    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