Dioctyldodecyl IPDI

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  • Identifiers

    CAS number
    185458-75-7

    Molecular formula
    C52H102N2O4

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 56.27%
    Fatty 36.72%
    Oily 36.16%
    Woody 33.75%
    Odorless 30.2%
    Balsamic 24.44%
    Herbal 24.04%
    Fresh 22.68%
    Animal 22.67%
    Savory 22.3%

     

    Flavor
    Bland 38.24%
    Mild 35.61%
    Waxy 30.16%
    Faint 29.3%
    Odorless 26.88%
    Fatty 25.34%
    Oily 24.31%
    Slightly waxy 22.62%
    Delicate 21.73%
    Bay oil 21.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.7

    pKa est.
    8.91 (weak base)

    Molecular weight
    819.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    682°C

    Flash point

    • 293.71 ˚C est.

  • Synonyms

    • Dioctyldodecyl IPDI
    • UNII-KT9IP8I17R
    • KT9IP8I17R
    • Dioctyldodecyl IPDI [INCI]
    • 185458-75-7
    • dioctyldodecyl isophorone diisocyanate
    • RefChem:200638
    • Monoderm i-20
    • (+/-)-Dioctyldodecyl IPDI
    • Dioctyldodecyl IPDI, (+/-)-
    • Carbamic acid, ((1,3,3-trimethyl-5-((((2-octyldodecyl)oxy)carbonyl)amino)cyclohexyl)methyl)-, 2-octyldodecyl ester
    • SCHEMBL9965285
    • DTXSID30939970
    • AWOTXJMTZAPRFT-UHFFFAOYSA-N
    • Q27282427
    • 2-Octyldodecyl hydrogen {3-[({hydroxy[(2-octyldodecyl)oxy]methylidene}amino)methyl]-3,5,5-trimethylcyclohexyl}carbonimidate
    • 185458-75-7

  • Applications

    Dioctyldodecyl IPDI, CAS 185458-75-7, is used primarily as a diisocyanate building block in polyurethane chemistry, acting as a crosslinking agent to form network structures and tailor hardness and toughness of PU materials. In coatings and paints, it is employed to formulate aliphatic polyurethane coatings with improved durability and UV resistance, while also enhancing adhesion and mechanical properties of the film. In adhesives and sealants, it serves as a reactive component to improve bonding performance and temperature resistance. It is also used as a reactive intermediate in the production of elastomers and PU foams, providing elasticity and formability for PU systems. At specialty levels, it may be used as a feedstock for polymers/resins in electronics encapsulation/potting and other industrial plastic applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.95
    methanol 65.83
    isopropanol 68.62
    water 1.73
    ethyl acetate 320.78
    n-propanol 105.32
    acetone 225.0
    n-butanol 101.32
    acetonitrile 65.64
    DMF 412.14
    toluene 194.14
    isobutanol 94.25
    1,4-dioxane 209.84
    methyl acetate 243.59
    THF 667.63
    2-butanone 306.82
    n-pentanol 93.95
    sec-butanol 112.91
    n-hexane 29.24
    ethylene glycol 11.95
    NMP 1204.03
    cyclohexane 49.87
    DMSO 296.65
    n-butyl acetate 233.1
    n-octanol 84.58
    chloroform 752.43
    n-propyl acetate 223.21
    acetic acid 306.2
    dichloromethane 656.47
    cyclohexanone 635.1
    propylene glycol 33.86
    isopropyl acetate 271.57
    DMAc 869.61
    2-ethoxyethanol 137.62
    isopentanol 94.08
    n-heptane 21.41
    ethyl formate 154.57
    1,2-dichloroethane 400.06
    n-hexanol 82.0
    2-methoxyethanol 164.8
    isobutyl acetate 172.52
    tetrachloromethane 188.68
    n-pentyl acetate 336.3
    transcutol 433.54
    n-heptanol 93.57
    ethylbenzene 94.18
    MIBK 196.97
    2-propoxyethanol 183.59
    tert-butanol 75.18
    MTBE 147.86
    2-butoxyethanol 226.45
    propionic acid 217.49
    o-xylene 147.81
    formic acid 95.19
    diethyl ether 143.62
    m-xylene 131.46
    p-xylene 119.62
    chlorobenzene 287.62
    dimethyl carbonate 213.13
    n-octane 12.45
    formamide 132.21
    cyclopentanone 781.28
    2-pentanone 302.24
    anisole 141.87
    cyclopentyl methyl ether 442.37
    gamma-butyrolactone 874.07
    1-methoxy-2-propanol 182.81
    pyridine 348.47
    3-pentanone 315.45
    furfural 516.62
    n-dodecane 6.23
    diethylene glycol 69.89
    diisopropyl ether 68.92
    tert-amyl alcohol 129.15
    acetylacetone 383.05
    n-hexadecane 7.38
    acetophenone 233.29
    methyl propionate 348.51
    isopentyl acetate 232.51
    trichloroethylene 870.54
    n-nonanol 87.0
    cyclohexanol 188.93
    benzyl alcohol 118.26
    2-ethylhexanol 75.22
    isooctanol 83.21
    dipropyl ether 115.0
    1,2-dichlorobenzene 308.77
    ethyl lactate 136.85
    propylene carbonate 521.12
    n-methylformamide 203.09
    2-pentanol 95.6
    n-pentane 26.58
    1-propoxy-2-propanol 182.27
    1-methoxy-2-propyl acetate 311.43
    2-(2-methoxypropoxy) propanol 180.18
    mesitylene 79.43
    ε-caprolactone 696.29
    p-cymene 66.75
    epichlorohydrin 689.04
    1,1,1-trichloroethane 503.37
    2-aminoethanol 42.02
    morpholine-4-carbaldehyde 548.35
    sulfolane 1256.74
    2,2,4-trimethylpentane 24.13
    2-methyltetrahydrofuran 528.34
    n-hexyl acetate 327.09
    isooctane 10.53
    2-(2-butoxyethoxy)ethanol 217.84
    sec-butyl acetate 209.38
    tert-butyl acetate 301.98
    decalin 27.36
    glycerin 53.17
    diglyme 417.82
    acrylic acid 195.97
    isopropyl myristate 93.14
    n-butyric acid 339.25
    acetyl acetate 264.41
    di(2-ethylhexyl) phthalate 107.37
    ethyl propionate 236.44
    nitromethane 414.38
    1,2-diethoxyethane 188.03
    benzonitrile 126.97
    trioctyl phosphate 84.51
    1-bromopropane 252.52
    gamma-valerolactone 867.61
    n-decanol 52.72
    triethyl phosphate 146.64
    4-methyl-2-pentanol 63.26
    propionitrile 84.47
    vinylene carbonate 432.12
    1,1,2-trichlorotrifluoroethane 567.78
    DMS 266.31
    cumene 64.14
    2-octanol 77.71
    2-hexanone 206.4
    octyl acetate 139.01
    limonene 107.43
    1,2-dimethoxyethane 200.62
    ethyl orthosilicate 133.76
    tributyl phosphate 106.48
    diacetone alcohol 251.78
    N,N-dimethylaniline 122.54
    acrylonitrile 103.26
    aniline 183.33
    1,3-propanediol 70.65
    bromobenzene 327.44
    dibromomethane 436.97
    1,1,2,2-tetrachloroethane 790.24
    2-methyl-cyclohexyl acetate 206.32
    tetrabutyl urea 145.51
    diisobutyl methanol 46.0
    2-phenylethanol 108.6
    styrene 100.43
    dioctyl adipate 157.62
    dimethyl sulfate 481.08
    ethyl butyrate 215.23
    methyl lactate 188.29
    butyl lactate 257.3
    diethyl carbonate 138.29
    propanediol butyl ether 166.51
    triethyl orthoformate 183.78
    p-tert-butyltoluene 66.86
    methyl 4-tert-butylbenzoate 308.28
    morpholine 328.15
    tert-butylamine 50.84
    n-dodecanol 33.29
    dimethoxymethane 265.06
    ethylene carbonate 375.94
    cyrene 244.26
    2-ethoxyethyl acetate 395.99
    2-ethylhexyl acetate 211.69
    1,2,4-trichlorobenzene 419.75
    4-methylpyridine 365.61
    dibutyl ether 108.93
    2,6-dimethyl-4-heptanol 46.0
    DEF 405.06
    dimethyl isosorbide 359.78
    tetrachloroethylene 473.92
    eugenol 189.87
    triacetin 389.43
    span 80 187.51
    1,4-butanediol 35.67
    1,1-dichloroethane 369.76
    2-methyl-1-pentanol 96.62
    methyl formate 166.54
    2-methyl-1-butanol 121.23
    n-decane 15.49
    butyronitrile 93.93
    3,7-dimethyl-1-octanol 76.53
    1-chlorooctane 80.25
    1-chlorotetradecane 21.42
    n-nonane 14.67
    undecane 9.23
    tert-butylcyclohexane 21.73
    cyclooctane 22.67
    cyclopentanol 216.37
    tetrahydropyran 352.24
    tert-amyl methyl ether 191.94
    2,5,8-trioxanonane 224.8
    1-hexene 78.84
    2-isopropoxyethanol 125.42
    2,2,2-trifluoroethanol 205.2
    methyl butyrate 282.4

    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