Didecyltetradecyl IPDI

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  • Identifiers

    CAS number
    185458-78-0

    Molecular formula
    C60H118N2O4

    SMILES
    CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCC(CCCCCCCCCC)CCCCCCCCCCCC)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 63.38%
    Fatty 41.79%
    Oily 36.79%
    Woody 30.73%
    Odorless 30.64%
    Balsamic 23.25%
    Animal 21.93%
    Savory 21.72%
    Amber 20.81%
    Fresh 20.06%

     

    Flavor
    Bland 38.46%
    Mild 35.22%
    Waxy 32.67%
    Faint 29.79%
    Odorless 26.05%
    Fatty 25.56%
    Oily 23.27%
    Slightly waxy 22.76%
    Delicate 21.79%
    Bay oil 21.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    26.0

    pKa est.
    8.89 (weak base)

    Molecular weight
    931.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    724°C

    Flash point

    • 312.38 ˚C est.

  • Synonyms

    • Didecyltetradecyl IPDI
    • UNII-VM0VWQ9LZR
    • VM0VWQ9LZR
    • 185458-78-0
    • Didecyltetradecyl IPDI [INCI]
    • didecyltetradecyl isophorone diisocyanate
    • RefChem:200536
    • Monoderm I-24
    • (+/-)-Didecyltetradecyl IPDI
    • Didecyltetradecyl IPDI, (+/-)-
    • Carbamic acid, (3-((((2-decyltetradecyl)oxy)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-, 2-decyl tetradecyl
    • 2-decyltetradecyl N-[3-[(2-decyltetradecoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
    • SCHEMBL30196158
    • DTXSID90939971
    • Q27291889
    • 2-Decyltetradecyl hydrogen {3-[({[(2-decyltetradecyl)oxy](hydroxy)methylidene}amino)methyl]-3,5,5-trimethylcyclohexyl}carbonimidate
    • 185458-78-0

  • Applications

    Didecyltetradecyl IPDI (CAS 185458-78-0) is a reactive diisocyanate component used in polyurethane chemistry. In industry, it is commonly employed to prepare flexible polyurethane coatings and elastomeric resins; it serves as a crosslinking and chain-extending unit in coatings, adhesives, and sealants; it enables the synthesis of flexible polyurethane foams for automotive and industrial applications; and it promotes specialty PU resins with tailored softness and hydrophobicity for various polymer systems. Subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.23
    methanol 54.1
    isopropanol 56.62
    water 1.56
    ethyl acetate 287.87
    n-propanol 88.12
    acetone 193.84
    n-butanol 85.64
    acetonitrile 57.41
    DMF 367.1
    toluene 181.45
    isobutanol 78.89
    1,4-dioxane 191.01
    methyl acetate 213.22
    THF 612.94
    2-butanone 272.34
    n-pentanol 79.89
    sec-butanol 95.83
    n-hexane 27.58
    ethylene glycol 9.76
    NMP 1110.8
    cyclohexane 49.31
    DMSO 264.96
    n-butyl acetate 220.04
    n-octanol 78.11
    chloroform 693.2
    n-propyl acetate 206.01
    acetic acid 259.23
    dichloromethane 600.26
    cyclohexanone 591.63
    propylene glycol 28.26
    isopropyl acetate 246.1
    DMAc 768.01
    2-ethoxyethanol 121.43
    isopentanol 80.17
    n-heptane 21.08
    ethyl formate 138.17
    1,2-dichloroethane 357.97
    n-hexanol 71.45
    2-methoxyethanol 140.85
    isobutyl acetate 158.31
    tetrachloromethane 177.16
    n-pentyl acetate 313.04
    transcutol 388.79
    n-heptanol 84.01
    ethylbenzene 89.44
    MIBK 180.15
    2-propoxyethanol 164.36
    tert-butanol 63.16
    MTBE 129.64
    2-butoxyethanol 205.34
    propionic acid 187.22
    o-xylene 139.0
    formic acid 80.67
    diethyl ether 127.8
    m-xylene 123.3
    p-xylene 113.4
    chlorobenzene 269.12
    dimethyl carbonate 193.58
    n-octane 12.29
    formamide 112.9
    cyclopentanone 732.43
    2-pentanone 268.37
    anisole 133.39
    cyclopentyl methyl ether 406.54
    gamma-butyrolactone 825.0
    1-methoxy-2-propanol 160.4
    pyridine 320.26
    3-pentanone 284.16
    furfural 487.81
    n-dodecane 6.13
    diethylene glycol 61.81
    diisopropyl ether 64.21
    tert-amyl alcohol 110.58
    acetylacetone 347.16
    n-hexadecane 7.26
    acetophenone 218.71
    methyl propionate 309.46
    isopentyl acetate 215.07
    trichloroethylene 799.0
    n-nonanol 80.55
    cyclohexanol 168.91
    benzyl alcohol 105.75
    2-ethylhexanol 69.2
    isooctanol 75.79
    dipropyl ether 111.12
    1,2-dichlorobenzene 293.53
    ethyl lactate 128.0
    propylene carbonate 489.03
    n-methylformamide 175.83
    2-pentanol 81.94
    n-pentane 24.78
    1-propoxy-2-propanol 166.35
    1-methoxy-2-propyl acetate 289.18
    2-(2-methoxypropoxy) propanol 166.4
    mesitylene 76.84
    ε-caprolactone 649.94
    p-cymene 65.13
    epichlorohydrin 636.48
    1,1,1-trichloroethane 467.87
    2-aminoethanol 34.72
    morpholine-4-carbaldehyde 498.04
    sulfolane 1191.25
    2,2,4-trimethylpentane 23.1
    2-methyltetrahydrofuran 482.5
    n-hexyl acetate 301.85
    isooctane 10.23
    2-(2-butoxyethoxy)ethanol 198.48
    sec-butyl acetate 192.9
    tert-butyl acetate 274.61
    decalin 26.91
    glycerin 45.76
    diglyme 385.81
    acrylic acid 170.98
    isopropyl myristate 87.9
    n-butyric acid 295.96
    acetyl acetate 243.02
    di(2-ethylhexyl) phthalate 100.29
    ethyl propionate 217.65
    nitromethane 361.5
    1,2-diethoxyethane 174.34
    benzonitrile 117.24
    trioctyl phosphate 78.1
    1-bromopropane 230.41
    gamma-valerolactone 806.92
    n-decanol 48.53
    triethyl phosphate 140.25
    4-methyl-2-pentanol 56.02
    propionitrile 74.75
    vinylene carbonate 407.36
    1,1,2-trichlorotrifluoroethane 518.62
    DMS 248.52
    cumene 61.42
    2-octanol 71.29
    2-hexanone 188.67
    octyl acetate 129.03
    limonene 104.06
    1,2-dimethoxyethane 183.13
    ethyl orthosilicate 129.17
    tributyl phosphate 99.88
    diacetone alcohol 228.82
    N,N-dimethylaniline 116.81
    acrylonitrile 91.22
    aniline 166.14
    1,3-propanediol 58.67
    bromobenzene 308.12
    dibromomethane 401.9
    1,1,2,2-tetrachloroethane 729.27
    2-methyl-cyclohexyl acetate 196.3
    tetrabutyl urea 136.61
    diisobutyl methanol 43.69
    2-phenylethanol 99.19
    styrene 94.96
    dioctyl adipate 148.38
    dimethyl sulfate 447.77
    ethyl butyrate 205.14
    methyl lactate 169.9
    butyl lactate 241.46
    diethyl carbonate 130.84
    propanediol butyl ether 149.19
    triethyl orthoformate 176.27
    p-tert-butyltoluene 65.37
    methyl 4-tert-butylbenzoate 291.14
    morpholine 293.69
    tert-butylamine 43.87
    n-dodecanol 30.78
    dimethoxymethane 237.99
    ethylene carbonate 351.95
    cyrene 231.51
    2-ethoxyethyl acetate 368.12
    2-ethylhexyl acetate 200.34
    1,2,4-trichlorobenzene 395.75
    4-methylpyridine 334.81
    dibutyl ether 104.82
    2,6-dimethyl-4-heptanol 43.69
    DEF 363.05
    dimethyl isosorbide 345.27
    tetrachloroethylene 437.51
    eugenol 179.0
    triacetin 364.98
    span 80 174.85
    1,4-butanediol 30.42
    1,1-dichloroethane 331.74
    2-methyl-1-pentanol 84.58
    methyl formate 146.62
    2-methyl-1-butanol 104.02
    n-decane 15.3
    butyronitrile 82.36
    3,7-dimethyl-1-octanol 70.97
    1-chlorooctane 77.18
    1-chlorotetradecane 20.6
    n-nonane 14.45
    undecane 9.07
    tert-butylcyclohexane 21.38
    cyclooctane 22.48
    cyclopentanol 193.49
    tetrahydropyran 322.91
    tert-amyl methyl ether 171.58
    2,5,8-trioxanonane 208.32
    1-hexene 72.76
    2-isopropoxyethanol 111.05
    2,2,2-trifluoroethanol 179.58
    methyl butyrate 261.38

    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