Dihexyldecyl IPDI

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  • Identifiers

    CAS number
    185529-24-2

    Molecular formula
    C44H86N2O4

    SMILES
    CCCCCCCCC(CCCCCC)COC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCC(CCCCCC)CCCCCCCC)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 44.86%
    Woody 35.67%
    Oily 34.62%
    Herbal 33.73%
    Odorless 29.66%
    Fatty 29.54%
    Fresh 25.18%
    Mint 25.09%
    Balsamic 24.73%
    Cooling 23.0%

     

    Flavor
    Bland 36.9%
    Mild 35.46%
    Faint 27.61%
    Odorless 27.39%
    Waxy 27.28%
    Oily 24.94%
    Fatty 24.07%
    Slightly waxy 22.17%
    Delicate 21.43%
    Bay oil 21.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.3

    pKa est.
    8.22 (weak base)

    Molecular weight
    707.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    627°C

    Flash point

    • 271.98 ˚C est.

  • Synonyms

    • Dihexyldecyl IPDI
    • UNII-53WI7BSF9K
    • 53WI7BSF9K
    • dihexyldecyl isophorone diisocyanate
    • 185529-24-2
    • RefChem:200570
    • DIHEXYLDECYL IPDI [INCI]
    • Isocetyl IPDI
    • Dihexadecyl IPDI
    • Monoderm I-16
    • (+/-)-Dihexadecyl IPDI
    • Dihexadecyl IPDI, (+/-)-
    • Carbamic acid, N-(3-((((isohexadecyloxy)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-, isohexadecyl ester
    • Carbamic acid, (3-((((isohexadecyloxy)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-, isohexadecyl ester
    • DTXSID10939978
    • Q27261137
    • 2-Hexyldecyl hydrogen {3-[({[(2-hexyldecyl)oxy](hydroxy)methylidene}amino)methyl]-3,5,5-trimethylcyclohexyl}carbonimidate
    • 185529-24-2

  • Applications

    Dihexyldecyl IPDI is an aliphatic diisocyanate derivative used as a reactive polyurethane hardener/crosslinker. In formulation it is employed to make PU prepolymers and coatings, adhesives, and sealants, delivering improved flexibility, chemical resistance and weathering performance due to its bulky aliphatic substituents. Typical applications include polyurethane coatings for wood, metal, and automotive components; polyurethane adhesives and sealants for construction and industrial assembly; PU elastomer formulations for seals and gaskets; and PU plastics or molded parts where higher crosslink density and durability are desired. It may also serve as an intermediate in the synthesis of advanced PU systems for electronics encapsulation or potting, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.06
    methanol 104.44
    isopropanol 106.41
    water 2.3
    ethyl acetate 439.74
    n-propanol 159.66
    acetone 322.59
    n-butanol 152.5
    acetonitrile 93.96
    DMF 564.85
    toluene 250.48
    isobutanol 141.89
    1,4-dioxane 284.25
    methyl acetate 339.52
    THF 849.67
    2-butanone 417.33
    n-pentanol 135.6
    sec-butanol 168.38
    n-hexane 37.36
    ethylene glycol 19.2
    NMP 1522.32
    cyclohexane 62.4
    DMSO 401.94
    n-butyl acetate 298.12
    n-octanol 110.47
    chloroform 952.26
    n-propyl acetate 282.88
    acetic acid 457.64
    dichloromethane 833.99
    cyclohexanone 801.37
    propylene glycol 51.54
    isopropyl acetate 372.54
    DMAc 1154.99
    2-ethoxyethanol 191.31
    isopentanol 138.73
    n-heptane 25.89
    ethyl formate 217.41
    1,2-dichloroethane 533.76
    n-hexanol 117.69
    2-methoxyethanol 242.71
    isobutyl acetate 222.59
    tetrachloromethane 241.1
    n-pentyl acetate 428.15
    transcutol 592.59
    n-heptanol 127.2
    ethylbenzene 117.34
    MIBK 263.2
    2-propoxyethanol 249.14
    tert-butanol 113.77
    MTBE 211.34
    2-butoxyethanol 299.13
    propionic acid 317.59
    o-xylene 186.38
    formic acid 144.59
    diethyl ether 200.16
    m-xylene 170.4
    p-xylene 147.36
    chlorobenzene 361.99
    dimethyl carbonate 283.43
    n-octane 15.17
    formamide 197.44
    cyclopentanone 966.57
    2-pentanone 411.47
    anisole 178.14
    cyclopentyl methyl ether 570.92
    gamma-butyrolactone 1052.94
    1-methoxy-2-propanol 255.8
    pyridine 445.4
    3-pentanone 417.76
    furfural 648.77
    n-dodecane 7.55
    diethylene glycol 99.41
    diisopropyl ether 92.92
    tert-amyl alcohol 188.84
    acetylacetone 507.46
    n-hexadecane 8.97
    acetophenone 291.41
    methyl propionate 469.32
    isopentyl acetate 302.66
    trichloroethylene 1124.56
    n-nonanol 112.72
    cyclohexanol 258.01
    benzyl alcohol 158.79
    2-ethylhexanol 98.94
    isooctanol 111.22
    dipropyl ether 142.36
    1,2-dichlorobenzene 378.53
    ethyl lactate 174.39
    propylene carbonate 651.97
    n-methylformamide 290.7
    2-pentanol 139.93
    n-pentane 35.53
    1-propoxy-2-propanol 239.74
    1-methoxy-2-propyl acetate 408.02
    2-(2-methoxypropoxy) propanol 234.41
    mesitylene 99.4
    ε-caprolactone 886.7
    p-cymene 79.84
    epichlorohydrin 881.76
    1,1,1-trichloroethane 639.32
    2-aminoethanol 65.94
    morpholine-4-carbaldehyde 729.22
    sulfolane 1532.01
    2,2,4-trimethylpentane 31.37
    2-methyltetrahydrofuran 696.33
    n-hexyl acetate 425.54
    isooctane 13.47
    2-(2-butoxyethoxy)ethanol 290.48
    sec-butyl acetate 269.76
    tert-butyl acetate 406.95
    decalin 32.85
    glycerin 79.23
    diglyme 544.11
    acrylic acid 278.38
    isopropyl myristate 117.92
    n-butyric acid 480.17
    acetyl acetate 356.76
    di(2-ethylhexyl) phthalate 137.99
    ethyl propionate 304.21
    nitromethane 577.14
    1,2-diethoxyethane 245.64
    benzonitrile 163.01
    trioctyl phosphate 109.46
    1-bromopropane 331.79
    gamma-valerolactone 1093.97
    n-decanol 68.92
    triethyl phosphate 179.73
    4-methyl-2-pentanol 88.06
    propionitrile 118.46
    vinylene carbonate 540.83
    1,1,2-trichlorotrifluoroethane 741.04
    DMS 349.02
    cumene 78.0
    2-octanol 101.18
    2-hexanone 270.61
    octyl acetate 180.55
    limonene 131.34
    1,2-dimethoxyethane 263.07
    ethyl orthosilicate 163.65
    tributyl phosphate 138.0
    diacetone alcohol 338.46
    N,N-dimethylaniline 153.13
    acrylonitrile 140.96
    aniline 244.78
    1,3-propanediol 109.67
    bromobenzene 402.97
    dibromomethane 551.75
    1,1,2,2-tetrachloroethane 1008.48
    2-methyl-cyclohexyl acetate 254.97
    tetrabutyl urea 183.42
    diisobutyl methanol 58.62
    2-phenylethanol 143.66
    styrene 124.25
    dioctyl adipate 199.24
    dimethyl sulfate 614.24
    ethyl butyrate 267.06
    methyl lactate 253.54
    butyl lactate 328.58
    diethyl carbonate 174.27
    propanediol butyl ether 223.17
    triethyl orthoformate 224.25
    p-tert-butyltoluene 79.93
    methyl 4-tert-butylbenzoate 381.98
    morpholine 460.35
    tert-butylamine 75.18
    n-dodecanol 43.89
    dimethoxymethane 353.84
    ethylene carbonate 473.06
    cyrene 298.58
    2-ethoxyethyl acetate 515.42
    2-ethylhexyl acetate 268.92
    1,2,4-trichlorobenzene 512.88
    4-methylpyridine 478.06
    dibutyl ether 135.96
    2,6-dimethyl-4-heptanol 58.62
    DEF 551.12
    dimethyl isosorbide 438.19
    tetrachloroethylene 612.57
    eugenol 236.98
    triacetin 493.72
    span 80 239.38
    1,4-butanediol 53.17
    1,1-dichloroethane 501.53
    2-methyl-1-pentanol 136.64
    methyl formate 232.19
    2-methyl-1-butanol 178.9
    n-decane 18.43
    butyronitrile 133.52
    3,7-dimethyl-1-octanol 100.23
    1-chlorooctane 99.43
    1-chlorotetradecane 26.79
    n-nonane 17.75
    undecane 11.07
    tert-butylcyclohexane 26.21
    cyclooctane 27.63
    cyclopentanol 297.71
    tetrahydropyran 471.7
    tert-amyl methyl ether 269.36
    2,5,8-trioxanonane 297.03
    1-hexene 105.3
    2-isopropoxyethanol 171.21
    2,2,2-trifluoroethanol 288.73
    methyl butyrate 361.78

    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