Hydrogenated mdi

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  • Identifiers

    CAS number
    5124-30-1

    Molecular formula
    C15H22N2O2

    SMILES
    C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O

    Safety labels

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 77.71%
    Aldehydic 43.37%
    Pungent 32.61%
    Fatty 31.44%
    Radish 30.48%
    Fresh 29.0%
    Leafy 25.05%
    Oily 25.0%
    Citrus 24.2%
    Fruity 22.86%

     

    Flavor
    Bitter 45.31%
    Shrimp 21.96%
    Alkaline 21.84%
    Nitrile 21.56%
    Red hots 20.64%
    Gooseberry 20.55%
    Terpentine 20.3%
    Pumpkin 20.12%
    Oriental 20.07%
    Spicy 20.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.92 (neutral)

    Molecular weight
    262.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    358°C

    Melting point expt.

    • less than 14 °F (NIOSH, 2024)
    • <14 °F

    Flash point

    • 173.21 ˚C est.
    • greater than 395 °F (NIOSH, 2024)
    • >395 °F

    Solubility expt.

    • Reacts with water (NIOSH, 2024)
    • Soluble in acetone
    • Reacts

  • Synonyms

    • 5124-30-1
    • Bis(4-isocyanatocyclohexyl)methane
    • Methylene bis(4-cyclohexylisocyanate)
    • Nacconate H 12
    • Methylene bis-(4-cyclohexylisocyanate)
    • 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
    • Cyclohexane, 1,1'-methylenebis[4-isocyanato-
    • 4,4'-Methylenedi(cyclohexyl isocyanate)
    • Dicyclohexylmethane-4,4'-di-isocyanate
    • 4,4'-Methylenedicyclohexyl diisocyanate
    • Cyclohexane, 1,1'-methylenebis(4-isocyanato-
    • Methylenebis(4-cyclohexylisocyanate)
    • 4CT385M7K2
    • Saturated MDI
    • Reduced MDI
    • HMDI cpd
    • DMDI
    • 1-isocyanato-4-((4-isocyanatocyclohexyl)methyl)cyclohexane
    • 4,4-methylene biscyclohexyl diisocyanate
    • RefChem:789184
    • 225-863-2
    • methylene-bis(4-cyclohexylisocyanate)
    • Hylene W
    • Dicyclohexylmethane-4,4'-diisocyanate
    • 4,4'-Diisocyanatodicyclohexylmethane
    • Dicyclohexylmethane 4,4'-diisocyanate
    • MFCD00015405
    • 4,4'-Methylenebis(cyclohexyl Isocyanate)
    • 1,1-Methylene bis(4-isocyanatocyclohexane)
    • cis,cis-4,4'-Diisocyanatodicyclohexylmethane
    • cis,trans-4,4'-Diisocyanatodicyclohexylmethane
    • Isocyanic acid, methylenedi-4,1-cyclohexylene ester
    • 1,1-Methylenebis(4-isocyanatocyclohexane)
    • 6Y80AJA84R
    • P815VNF99I
    • Z717ID22KX
    • 13622-90-7
    • DTXSID3027588
    • CHEBI:53216
    • cis-cis-Methylene bis(4-cyclohexylisocyanate)
    • 4,4'-Diisocyanatodicyclohexylmethane, cis,cis-
    • cis-trans-Methylene bis(4-cyclohexylisocyanate)
    • 4,4'-Diisocyanatodicyclohexylmethane, cis,trans-
    • 1,1'-METHYLENEBIS(4-ISOCYANATOCYCLOHEXANE)
    • 4,4'-Diisocyanatodicyclohexylmethane, trans,trans-
    • Cyclohexane, 1,1'-methylenebis(4-isocyanato-, (cis(cis))-
    • Cyclohexane, 1,1'-methylenebis(4-isocyanato-, (cis(trans))-
    • Cyclohexane, 1,1'-methylenebis(4-isocyanato-, (trans,trans)-
    • Isocyanic acid, methylenedi-4,1-cyclohexylene ester, cis,cis-
    • Isocyanic acid, methylenedi-4,1-cyclohexylene ester, cis,trans-
    • Cyclohexane, 1,1'-methylenebis(isocyanato-
    • trans,trans-4,4'-diisocyanatodicyclohexylmethane
    • 17901-48-3
    • 18937-00-3
    • 28605-81-4
    • Cyclohexane, 1,1'-methylenebis[4-isocyanato-, (trans,trans)-
    • 156515-75-2
    • HSDB 7189
    • EINECS 225-863-2
    • BRN 2217800
    • UNII-6Y80AJA84R
    • UNII-P815VNF99I
    • UNII-Z717ID22KX
    • CP 99173
    • UNII-4CT385M7K2
    • Dicyclohexylmethane-4,4'-diiso cyanate
    • HMDI, mixture of isomer
    • HMDI, analytical standard
    • Epitope ID:113239
    • EC 225-863-2
    • SCHEMBL22543
    • DTXCID307588
    • SCHEMBL1451985
    • SCHEMBL5902920
    • SCHEMBL5903114
    • SCHEMBL6318341
    • SCHEMBL7130891
    • SCHEMBL8733246
    • CHEMBL1878565
    • SCHEMBL10507329
    • 1,1-Methylenebis(4-isocyanatocyclohexane) [Diisocyanates]
    • DTXSID30891145
    • FAA12430
    • Tox21_301473
    • 4,4'-diisocyanato dicyclohexylmethane
    • AKOS000120188
    • dicyclohexyl-methane-4,4'-diisocyanate
    • dicyclohexylmethane-4,4\'-diisocyanate
    • 4,4-methylenebis(cyclohexyl isocyanate)
    • methylene-bis-(4-cyclohexyl isocyanate)
    • NCGC00164262-01
    • NCGC00255393-01
    • BS-42301
    • 4,4'-methylenebis-(cyclohexyl isocyanate)
    • CAS-5124-30-1
    • D2380
    • NS00004105
    • ST50826002
    • F87466
    • Q1562648
    • 4-[(4-isocyanatocyclohexyl)methyl]cyclohexanisocyanate
    • Q27265708
    • Q27286344
    • Q27295091
    • F2191-0303
    • TRANS-TRANS-METHYLENEBIS(4-CYCLOHEXYLISOCYANATE)
    • (trans,trans)-1,1'-Methylenebis[4-isocyanatocyclohexane]
    • Dicyclohexylmethane-4,4'-diisocyanate (mixture of isomers)
    • (1r,1'r,4r,4'r)-1,1'-Methylenebis(4-isocyanatocyclohexane)
    • Dicyclohexylmethane-?4,?4'-?diisocyanate (Mixture of Isomers), >90%
    • ISOCYANIC ACID, METHYLENEDI-4,1-CYCLOHEXYLENE ESTER, TRANS,TRANS-
    • 5124-30-1

  • Applications

    Hydrogenated mdi (CAS 5124-30-1) is a diisocyanate used as the diisocyanate building block in polyurethane formulations, often chosen to improve color and formulation stability of PU systems. Practical applications include polyurethane coatings and inks for industrial and wood substrates; adhesives and sealants; PU elastomers; polyurethane plastics and polymers for rigid and flexible foams; and serving as an intermediate in polymer synthesis to link and strengthen PU-based structures in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.49
    methanol 8.52
    isopropanol 11.09
    water 0.0
    ethyl acetate 40.24
    n-propanol 11.37
    acetone 54.97
    n-butanol 11.98
    acetonitrile 21.18
    DMF 109.07
    toluene 60.8
    isobutanol 9.81
    1,4-dioxane 55.47
    methyl acetate 38.22
    THF 242.13
    2-butanone 72.03
    n-pentanol 11.53
    sec-butanol 12.14
    n-hexane 2.24
    ethylene glycol 1.18
    NMP 138.82
    cyclohexane 5.16
    DMSO 164.89
    n-butyl acetate 40.43
    n-octanol 6.82
    chloroform 377.56
    n-propyl acetate 34.96
    acetic acid 17.69
    dichloromethane 394.87
    cyclohexanone 139.17
    propylene glycol 4.12
    isopropyl acetate 35.1
    DMAc 140.48
    2-ethoxyethanol 28.61
    isopentanol 15.65
    n-heptane 1.32
    ethyl formate 25.24
    1,2-dichloroethane 234.19
    n-hexanol 11.69
    2-methoxyethanol 42.02
    isobutyl acetate 24.52
    tetrachloromethane 24.62
    n-pentyl acetate 29.98
    transcutol 154.28
    n-heptanol 7.66
    ethylbenzene 24.53
    MIBK 39.74
    2-propoxyethanol 36.2
    tert-butanol 17.09
    MTBE 23.72
    2-butoxyethanol 25.96
    propionic acid 17.54
    o-xylene 33.85
    formic acid 4.7
    diethyl ether 22.23
    m-xylene 36.23
    p-xylene 34.08
    chlorobenzene 93.03
    dimethyl carbonate 17.76
    n-octane 0.87
    formamide 13.94
    cyclopentanone 235.94
    2-pentanone 56.18
    anisole 45.74
    cyclopentyl methyl ether 74.49
    gamma-butyrolactone 179.93
    1-methoxy-2-propanol 45.49
    pyridine 137.83
    3-pentanone 47.66
    furfural 166.89
    n-dodecane 0.78
    diethylene glycol 20.07
    diisopropyl ether 9.84
    tert-amyl alcohol 16.05
    acetylacetone 79.92
    n-hexadecane 0.98
    acetophenone 56.8
    methyl propionate 39.05
    isopentyl acetate 41.3
    trichloroethylene 471.26
    n-nonanol 7.94
    cyclohexanol 22.15
    benzyl alcohol 35.37
    2-ethylhexanol 11.4
    isooctanol 8.49
    dipropyl ether 15.51
    1,2-dichlorobenzene 92.56
    ethyl lactate 20.35
    propylene carbonate 81.85
    n-methylformamide 31.05
    2-pentanol 10.2
    n-pentane 1.45
    1-propoxy-2-propanol 33.28
    1-methoxy-2-propyl acetate 54.77
    2-(2-methoxypropoxy) propanol 38.92
    mesitylene 21.59
    ε-caprolactone 96.52
    p-cymene 15.12
    epichlorohydrin 280.28
    1,1,1-trichloroethane 145.56
    2-aminoethanol 4.63
    morpholine-4-carbaldehyde 102.89
    sulfolane 266.09
    2,2,4-trimethylpentane 1.79
    2-methyltetrahydrofuran 111.04
    n-hexyl acetate 32.82
    isooctane 1.45
    2-(2-butoxyethoxy)ethanol 49.6
    sec-butyl acetate 26.98
    tert-butyl acetate 42.04
    decalin 4.17
    glycerin 8.58
    diglyme 98.13
    acrylic acid 17.1
    isopropyl myristate 13.98
    n-butyric acid 33.37
    acetyl acetate 30.27
    di(2-ethylhexyl) phthalate 17.4
    ethyl propionate 30.92
    nitromethane 53.41
    1,2-diethoxyethane 46.1
    benzonitrile 55.93
    trioctyl phosphate 10.1
    1-bromopropane 82.61
    gamma-valerolactone 201.2
    n-decanol 6.08
    triethyl phosphate 20.76
    4-methyl-2-pentanol 9.83
    propionitrile 22.59
    vinylene carbonate 62.31
    1,1,2-trichlorotrifluoroethane 126.6
    DMS 36.86
    cumene 16.28
    2-octanol 6.15
    2-hexanone 40.21
    octyl acetate 16.68
    limonene 18.68
    1,2-dimethoxyethane 71.69
    ethyl orthosilicate 18.97
    tributyl phosphate 15.11
    diacetone alcohol 47.34
    N,N-dimethylaniline 32.51
    acrylonitrile 33.53
    aniline 50.54
    1,3-propanediol 10.88
    bromobenzene 116.83
    dibromomethane 228.42
    1,1,2,2-tetrachloroethane 360.29
    2-methyl-cyclohexyl acetate 33.6
    tetrabutyl urea 21.98
    diisobutyl methanol 9.81
    2-phenylethanol 31.99
    styrene 33.38
    dioctyl adipate 24.62
    dimethyl sulfate 49.4
    ethyl butyrate 31.42
    methyl lactate 23.98
    butyl lactate 28.24
    diethyl carbonate 21.76
    propanediol butyl ether 23.4
    triethyl orthoformate 24.97
    p-tert-butyltoluene 14.27
    methyl 4-tert-butylbenzoate 45.0
    morpholine 80.78
    tert-butylamine 9.99
    n-dodecanol 4.7
    dimethoxymethane 54.87
    ethylene carbonate 45.7
    cyrene 46.12
    2-ethoxyethyl acetate 46.53
    2-ethylhexyl acetate 33.27
    1,2,4-trichlorobenzene 115.9
    4-methylpyridine 120.43
    dibutyl ether 16.32
    2,6-dimethyl-4-heptanol 9.81
    DEF 60.71
    dimethyl isosorbide 91.96
    tetrachloroethylene 164.5
    eugenol 39.94
    triacetin 43.77
    span 80 29.99
    1,4-butanediol 4.71
    1,1-dichloroethane 158.35
    2-methyl-1-pentanol 14.45
    methyl formate 24.23
    2-methyl-1-butanol 12.79
    n-decane 1.29
    butyronitrile 26.51
    3,7-dimethyl-1-octanol 11.31
    1-chlorooctane 8.56
    1-chlorotetradecane 3.55
    n-nonane 1.06
    undecane 0.98
    tert-butylcyclohexane 3.27
    cyclooctane 1.8
    cyclopentanol 30.73
    tetrahydropyran 75.09
    tert-amyl methyl ether 23.71
    2,5,8-trioxanonane 67.38
    1-hexene 11.12
    2-isopropoxyethanol 23.22
    2,2,2-trifluoroethanol 9.87
    methyl butyrate 44.09

    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