Dibutylhexyl IPDI

Overview IFRA Request a quote

  • Identifiers

    CAS number
    185568-16-5

    Molecular formula
    C32H62N2O4

    SMILES
    CCCCC(CCCC)COC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCC(CCCC)CCCC)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 45.04%
    Mint 37.94%
    Cooling 36.63%
    Woody 30.99%
    Odorless 28.48%
    Oily 28.24%
    Grapefruit 24.83%
    Fresh 24.28%
    Savory 24.05%
    Spicy 23.71%

     

    Flavor
    Mild 32.24%
    Bland 29.52%
    Herbal 28.17%
    Odorless 25.45%
    Oily 23.87%
    Waxy 23.16%
    Woody 21.04%
    Slightly waxy 20.46%
    Bay oil 20.4%
    Sandalwood 20.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.8

    pKa est.
    7.12 (neutral)

    Molecular weight
    538.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    494°C

    Flash point

    • 237.99 ˚C est.

  • Synonyms

    • Dibutylhexyl IPDI
    • UNII-JV1IM71CBE
    • JV1IM71CBE
    • Dibutylhexyl IPDI [INCI]
    • 185568-16-5
    • dibutylhexyl isophorone diisocyanate
    • RefChem:200513
    • Isodecyl IPDI
    • Monoderm i-10
    • (+/-)-Isodecyl IPDI
    • Carbamic acid, (3-((((isodecyloxy)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-, isodecyl ester
    • SCHEMBL30195981
    • DTXSID40939981
    • Q27281707
    • 2-Butylhexyl hydrogen {3-[({[(2-butylhexyl)oxy](hydroxy)methylidene}amino)methyl]-3,5,5-trimethylcyclohexyl}carbonimidate
    • 185568-16-5

  • Applications

    Dibutylhexyl IPDI (CAS 185568-16-5) is a bulky diisocyanate derivative used as a reactive isocyanate building block in polyurethane formulations. In practice, it is employed to prepare polyurethane prepolymers and resins for high-performance coatings and paints (providing weathering and chemical resistance), as a crosslinker and hardener in adhesives and sealants, and to produce elastomeric polyurethanes and flexible polymers for applications such as gaskets, hoses, and fittings. It is also used to formulate specialty polyurethane resins for industrial and automotive applications and may be considered for electronics protective coatings and encapsulation to improve adhesion and thermal stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.11
    methanol 130.77
    isopropanol 129.11
    water 1.58
    ethyl acetate 433.22
    n-propanol 189.39
    acetone 355.13
    n-butanol 181.68
    acetonitrile 99.81
    DMF 599.46
    toluene 232.53
    isobutanol 172.46
    1,4-dioxane 286.05
    methyl acetate 340.78
    THF 853.86
    2-butanone 437.64
    n-pentanol 157.44
    sec-butanol 200.25
    n-hexane 34.78
    ethylene glycol 22.14
    NMP 1496.73
    cyclohexane 53.18
    DMSO 406.72
    n-butyl acetate 296.51
    n-octanol 117.88
    chloroform 980.35
    n-propyl acetate 286.2
    acetic acid 498.06
    dichloromethane 837.36
    cyclohexanone 779.11
    propylene glycol 61.01
    isopropyl acetate 370.6
    DMAc 1171.31
    2-ethoxyethanol 215.22
    isopentanol 166.85
    n-heptane 20.91
    ethyl formate 222.68
    1,2-dichloroethane 545.08
    n-hexanol 139.72
    2-methoxyethanol 283.72
    isobutyl acetate 225.11
    tetrachloromethane 235.59
    n-pentyl acetate 416.72
    transcutol 691.54
    n-heptanol 128.26
    ethylbenzene 107.69
    MIBK 281.03
    2-propoxyethanol 288.33
    tert-butanol 136.1
    MTBE 232.96
    2-butoxyethanol 311.68
    propionic acid 326.39
    o-xylene 171.58
    formic acid 159.12
    diethyl ether 208.97
    m-xylene 159.53
    p-xylene 139.38
    chlorobenzene 336.46
    dimethyl carbonate 249.21
    n-octane 12.72
    formamide 215.01
    cyclopentanone 910.86
    2-pentanone 430.0
    anisole 166.4
    cyclopentyl methyl ether 561.13
    gamma-butyrolactone 975.99
    1-methoxy-2-propanol 291.29
    pyridine 425.24
    3-pentanone 420.77
    furfural 618.23
    n-dodecane 6.72
    diethylene glycol 118.48
    diisopropyl ether 91.11
    tert-amyl alcohol 222.05
    acetylacetone 497.91
    n-hexadecane 7.85
    acetophenone 278.64
    methyl propionate 448.88
    isopentyl acetate 309.38
    trichloroethylene 1151.38
    n-nonanol 118.21
    cyclohexanol 276.34
    benzyl alcohol 164.95
    2-ethylhexanol 103.97
    isooctanol 111.54
    dipropyl ether 131.89
    1,2-dichlorobenzene 330.26
    ethyl lactate 173.37
    propylene carbonate 619.22
    n-methylformamide 298.67
    2-pentanol 159.63
    n-pentane 33.84
    1-propoxy-2-propanol 254.37
    1-methoxy-2-propyl acetate 410.77
    2-(2-methoxypropoxy) propanol 253.71
    mesitylene 89.21
    ε-caprolactone 879.87
    p-cymene 72.5
    epichlorohydrin 896.48
    1,1,1-trichloroethane 644.37
    2-aminoethanol 78.61
    morpholine-4-carbaldehyde 768.87
    sulfolane 1431.82
    2,2,4-trimethylpentane 30.31
    2-methyltetrahydrofuran 697.84
    n-hexyl acetate 436.18
    isooctane 12.55
    2-(2-butoxyethoxy)ethanol 329.34
    sec-butyl acetate 265.36
    tert-butyl acetate 400.04
    decalin 29.29
    glycerin 90.83
    diglyme 551.45
    acrylic acid 273.79
    isopropyl myristate 115.48
    n-butyric acid 495.35
    acetyl acetate 337.6
    di(2-ethylhexyl) phthalate 143.2
    ethyl propionate 290.66
    nitromethane 568.78
    1,2-diethoxyethane 254.08
    benzonitrile 158.29
    trioctyl phosphate 110.32
    1-bromopropane 332.96
    gamma-valerolactone 1085.96
    n-decanol 73.31
    triethyl phosphate 157.23
    4-methyl-2-pentanol 98.77
    propionitrile 122.73
    vinylene carbonate 483.82
    1,1,2-trichlorotrifluoroethane 746.92
    DMS 348.89
    cumene 73.94
    2-octanol 102.23
    2-hexanone 282.76
    octyl acetate 179.65
    limonene 117.96
    1,2-dimethoxyethane 279.71
    ethyl orthosilicate 145.65
    tributyl phosphate 139.44
    diacetone alcohol 365.67
    N,N-dimethylaniline 147.41
    acrylonitrile 141.56
    aniline 240.7
    1,3-propanediol 132.6
    bromobenzene 352.85
    dibromomethane 547.26
    1,1,2,2-tetrachloroethane 1049.17
    2-methyl-cyclohexyl acetate 240.33
    tetrabutyl urea 181.31
    diisobutyl methanol 55.34
    2-phenylethanol 152.94
    styrene 116.62
    dioctyl adipate 191.81
    dimethyl sulfate 547.32
    ethyl butyrate 239.94
    methyl lactate 249.81
    butyl lactate 323.39
    diethyl carbonate 150.41
    propanediol butyl ether 245.21
    triethyl orthoformate 199.05
    p-tert-butyltoluene 72.0
    methyl 4-tert-butylbenzoate 363.72
    morpholine 484.52
    tert-butylamine 88.34
    n-dodecanol 46.39
    dimethoxymethane 364.17
    ethylene carbonate 424.84
    cyrene 298.12
    2-ethoxyethyl acetate 517.65
    2-ethylhexyl acetate 270.71
    1,2,4-trichlorobenzene 470.49
    4-methylpyridine 486.38
    dibutyl ether 126.14
    2,6-dimethyl-4-heptanol 55.34
    DEF 577.12
    dimethyl isosorbide 439.87
    tetrachloroethylene 641.4
    eugenol 234.33
    triacetin 480.81
    span 80 246.01
    1,4-butanediol 63.69
    1,1-dichloroethane 537.89
    2-methyl-1-pentanol 160.34
    methyl formate 230.04
    2-methyl-1-butanol 210.44
    n-decane 15.79
    butyronitrile 143.2
    3,7-dimethyl-1-octanol 106.95
    1-chlorooctane 95.23
    1-chlorotetradecane 25.82
    n-nonane 15.13
    undecane 9.72
    tert-butylcyclohexane 24.45
    cyclooctane 22.17
    cyclopentanol 326.49
    tetrahydropyran 454.56
    tert-amyl methyl ether 287.4
    2,5,8-trioxanonane 314.57
    1-hexene 105.95
    2-isopropoxyethanol 192.04
    2,2,2-trifluoroethanol 285.67
    methyl butyrate 357.45

    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