Dioctyldecyl IPDI

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  • Identifiers

    CAS number
    185529-25-3

    Molecular formula
    C48H94N2O4

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 51.28%
    Oily 35.55%
    Woody 35.06%
    Fatty 33.39%
    Odorless 29.89%
    Herbal 28.58%
    Balsamic 24.75%
    Fresh 23.98%
    Animal 22.89%
    Savory 22.44%

     

    Flavor
    Bland 37.81%
    Mild 35.68%
    Waxy 28.74%
    Faint 28.67%
    Odorless 27.24%
    Fatty 24.85%
    Oily 24.71%
    Slightly waxy 22.45%
    Delicate 21.62%
    Bay oil 21.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    19.5

    pKa est.
    8.64 (weak base)

    Molecular weight
    763.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    658°C

    Flash point

    • 282.29 ˚C est.

  • Synonyms

    • Dioctyldecyl IPDI
    • Monoderm U-18
    • UNII-LOP57B1ZJ4
    • Dioctyldecyl IPDI [INCI]
    • LOP57B1ZJ4
    • 185529-25-3
    • dioctyldecyl isophorone diisocyanate
    • MONODERM I-18
    • RefChem:200637
    • Dioctadecyl IPDI
    • (+/-)-Dioctadecyl IPDI
    • Carbamic acid, (3- ((((isooctadecyloxy)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)- isooctadecyl ester
    • SCHEMBL30196525
    • DTXSID70939979
    • Q27283100
    • 2-Octyldecyl hydrogen {3-[({hydroxy[(2-octyldecyl)oxy]methylidene}amino)methyl]-3,5,5-trimethylcyclohexyl}carbonimidate
    • 185529-25-3

  • Applications

    Dioctyldecyl IPDI (CAS 185529-25-3) is used primarily as a bulky-substituted diisocyanate component, acting as a crosslinker or prepolymer builder in polyurethane systems. In industrial coatings and sealants, it is employed to formulate polyurethane coatings for metal and wood, enhancing system performance; it is also used in polyurethane elastomers and as a linking component for adhesives and polyurethane plastics; as an intermediate for customized polyisocyanate production and for specialty polymers with processing or stability requirements; and may be evaluated for other industrial polymer applications where controlled reactivity and reduced volatility of isocyanate components are advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.56
    methanol 73.95
    isopropanol 75.77
    water 1.83
    ethyl acetate 339.23
    n-propanol 116.13
    acetone 243.68
    n-butanol 111.18
    acetonitrile 70.58
    DMF 437.71
    toluene 200.52
    isobutanol 103.53
    1,4-dioxane 219.55
    methyl acetate 260.68
    THF 692.04
    2-butanone 325.14
    n-pentanol 102.03
    sec-butanol 122.85
    n-hexane 29.84
    ethylene glycol 13.34
    NMP 1251.33
    cyclohexane 49.71
    DMSO 315.3
    n-butyl acetate 241.74
    n-octanol 88.0
    chloroform 785.66
    n-propyl acetate 232.48
    acetic acid 337.89
    dichloromethane 686.25
    cyclohexanone 654.65
    propylene glycol 37.15
    isopropyl acetate 286.77
    DMAc 918.21
    2-ethoxyethanol 147.72
    isopentanol 102.15
    n-heptane 21.37
    ethyl formate 165.98
    1,2-dichloroethane 422.88
    n-hexanol 88.72
    2-methoxyethanol 179.61
    isobutyl acetate 180.77
    tetrachloromethane 195.07
    n-pentyl acetate 347.8
    transcutol 460.48
    n-heptanol 99.13
    ethylbenzene 96.72
    MIBK 206.74
    2-propoxyethanol 195.26
    tert-butanol 82.61
    MTBE 158.13
    2-butoxyethanol 237.66
    propionic acid 236.14
    o-xylene 151.67
    formic acid 105.14
    diethyl ether 152.09
    m-xylene 135.99
    p-xylene 122.54
    chlorobenzene 296.62
    dimethyl carbonate 223.9
    n-octane 12.47
    formamide 145.08
    cyclopentanone 802.66
    2-pentanone 320.41
    anisole 146.12
    cyclopentyl methyl ether 457.36
    gamma-butyrolactone 893.87
    1-methoxy-2-propanol 196.42
    pyridine 362.4
    3-pentanone 331.61
    furfural 533.78
    n-dodecane 6.24
    diethylene glycol 75.25
    diisopropyl ether 71.82
    tert-amyl alcohol 139.81
    acetylacetone 402.5
    n-hexadecane 7.41
    acetophenone 240.71
    methyl propionate 368.98
    isopentyl acetate 242.2
    trichloroethylene 912.46
    n-nonanol 90.23
    cyclohexanol 199.35
    benzyl alcohol 125.78
    2-ethylhexanol 78.57
    isooctanol 87.27
    dipropyl ether 116.98
    1,2-dichlorobenzene 316.16
    ethyl lactate 142.12
    propylene carbonate 538.66
    n-methylformamide 219.23
    2-pentanol 103.36
    n-pentane 27.35
    1-propoxy-2-propanol 191.45
    1-methoxy-2-propyl acetate 323.94
    2-(2-methoxypropoxy) propanol 188.27
    mesitylene 80.68
    ε-caprolactone 719.31
    p-cymene 67.53
    epichlorohydrin 715.09
    1,1,1-trichloroethane 521.99
    2-aminoethanol 46.81
    morpholine-4-carbaldehyde 576.74
    sulfolane 1287.04
    2,2,4-trimethylpentane 24.62
    2-methyltetrahydrofuran 552.85
    n-hexyl acetate 340.42
    isooctane 10.66
    2-(2-butoxyethoxy)ethanol 229.46
    sec-butyl acetate 218.46
    tert-butyl acetate 317.7
    decalin 27.38
    glycerin 57.87
    diglyme 435.64
    acrylic acid 210.38
    isopropyl myristate 96.0
    n-butyric acid 365.51
    acetyl acetate 277.38
    di(2-ethylhexyl) phthalate 111.59
    ethyl propionate 246.21
    nitromethane 446.07
    1,2-diethoxyethane 195.75
    benzonitrile 132.34
    trioctyl phosphate 87.97
    1-bromopropane 263.86
    gamma-valerolactone 897.82
    n-decanol 54.96
    triethyl phosphate 149.47
    4-methyl-2-pentanol 67.42
    propionitrile 90.28
    vinylene carbonate 447.14
    1,1,2-trichlorotrifluoroethane 593.66
    DMS 277.42
    cumene 65.23
    2-octanol 80.85
    2-hexanone 216.03
    octyl acetate 144.75
    limonene 108.78
    1,2-dimethoxyethane 210.77
    ethyl orthosilicate 136.06
    tributyl phosphate 110.6
    diacetone alcohol 265.23
    N,N-dimethylaniline 125.65
    acrylonitrile 110.08
    aniline 192.36
    1,3-propanediol 78.76
    bromobenzene 335.79
    dibromomethane 455.24
    1,1,2,2-tetrachloroethane 820.96
    2-methyl-cyclohexyl acetate 211.29
    tetrabutyl urea 150.26
    diisobutyl methanol 47.48
    2-phenylethanol 114.55
    styrene 102.72
    dioctyl adipate 162.85
    dimethyl sulfate 496.87
    ethyl butyrate 220.82
    methyl lactate 198.7
    butyl lactate 266.62
    diethyl carbonate 142.51
    propanediol butyl ether 176.38
    triethyl orthoformate 187.37
    p-tert-butyltoluene 67.41
    methyl 4-tert-butylbenzoate 317.18
    morpholine 349.31
    tert-butylamine 55.18
    n-dodecanol 34.79
    dimethoxymethane 279.61
    ethylene carbonate 387.36
    cyrene 251.56
    2-ethoxyethyl acetate 412.32
    2-ethylhexyl acetate 217.7
    1,2,4-trichlorobenzene 430.54
    4-methylpyridine 381.35
    dibutyl ether 110.99
    2,6-dimethyl-4-heptanol 47.48
    DEF 427.48
    dimethyl isosorbide 368.41
    tetrachloroethylene 493.85
    eugenol 195.92
    triacetin 403.35
    span 80 194.43
    1,4-butanediol 39.03
    1,1-dichloroethane 392.31
    2-methyl-1-pentanol 104.01
    methyl formate 178.67
    2-methyl-1-butanol 131.36
    n-decane 15.43
    butyronitrile 100.94
    3,7-dimethyl-1-octanol 79.67
    1-chlorooctane 81.5
    1-chlorotetradecane 21.81
    n-nonane 14.73
    undecane 9.26
    tert-butylcyclohexane 21.79
    cyclooctane 22.54
    cyclopentanol 229.06
    tetrahydropyran 367.08
    tert-amyl methyl ether 203.82
    2,5,8-trioxanonane 234.65
    1-hexene 82.43
    2-isopropoxyethanol 133.85
    2,2,2-trifluoroethanol 220.48
    methyl butyrate 294.17

    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