Bis(2,6-diisopropylphenyl)carbodiimide

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  • Identifiers

    CAS number
    2162-74-5

    Molecular formula
    C25H34N2

    SMILES
    CC(C)C1=C(C(=CC=C1)C(C)C)N=C=NC2=C(C=CC=C2C(C)C)C(C)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 61.47%
    Herbal 58.87%
    Woody 45.53%
    Spicy 40.55%
    Leafy 35.88%
    Earthy 34.61%
    Fresh 34.5%
    Mint 31.64%
    Citrus 28.47%
    Cortex 24.31%

     

    Flavor
    Bitter 34.5%
    Herbal 32.24%
    Woody 23.33%
    Green 22.39%
    Green pepper 20.38%
    Carrot 20.04%
    Syrup 19.78%
    Cedarleaf 19.66%
    Spice 19.59%
    Pepper 19.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    3.15 (weak acid)

    Molecular weight
    362.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point

    • 198.76 ˚C est.

  • Synonyms

    • Bis(2,6-diisopropylphenyl)carbodiimide
    • Staboxol 1
    • Carbo D
    • YPK27Z98PL
    • DTXSID5051862
    • 2,2',6,6'-Tetraisopropyldiphenylcarbodiimide
    • EINECS 218-487-5
    • UNII-YPK27Z98PL
    • Carbodiimide, bis(2,6-diisopropylphenyl)-
    • N,N'-Methanetetraylbis(2,6-bis(1-methylethyl)benzenamine)
    • Benzenamine, N,N'-methanetetraylbis(2,6-bis(1-methylethyl)-
    • Benzenamine, N,N'-methanetetraylbis[2,6-bis(1-methylethyl)-
    • BIS(2,6-DIISOPROPYLPHENYL)-CARBODIIMIDE
    • EC 218-487-5
    • RefChem:120041
    • DTXCID3030420
    • Carbodiimide, bis(2,6-diisopropylphenyl)-(7CI,8CI)
    • 218-487-5
    • 2162-74-5
    • N,N'-Methanediylidenebis(2,6-diisopropylaniline)
    • MFCD00082211
    • C25H34N2
    • (2,6-diisopropylphenyl)carbodiimide
    • N,N'-bis[2,6-bis(propan-2-yl)phenyl]methanediimine
    • N,N'-bis[2,6-di(propan-2-yl)phenyl]methanediimine
    • Maybridge1_004202
    • SCHEMBL134760
    • HMS553G24
    • AKOS015915473
    • FB16104
    • bis(2,6-di-2-propylphenyl)carbodiimide
    • bis-(2,6-diisopropylphenyl)carbodiimide
    • AS-10072
    • SY035749
    • DB-119014
    • B2756
    • CS-0154311
    • NS00007917
    • EN300-256163
    • O12007
    • F241311
    • N,N/'-bis[2,6-di(propan-2-yl)phenyl]methanediimine
    • N,N\'-bis[2,6-di(propan-2-yl)phenyl]methanediimine
    • Q27894368
    • N-{N-[2,6-bis(propan-2-yl)phenyl]carboximidoyl}-2,6-bis(propan-2-yl)aniline
    • 2162-74-5

  • Applications

    Bis(2,6-diisopropylphenyl)carbodiimide is primarily used as a dehydrating/activating coupling reagent for carboxyl groups in organic synthesis, enabling amide bond formation such as peptide coupling in pharmaceutical and fine-chemical workflows. It also serves as an intermediate for preparing other diarylcarbodiimide reagents and functions as a crosslinking/curing agent in polymer and coating formulations, where its bulky aryl substituents can influence reactivity and thermal stability to enhance adhesion and chemical resistance. In industrial manufacturing and materials research, it is employed as a building block for functional polymers and for surface modification or bonding in specialty coatings and adhesives, with handling and use governed by formulation conditions and applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.41
    methanol 24.66
    isopropanol 111.48
    water 0.04
    ethyl acetate 1132.26
    n-propanol 140.59
    acetone 1120.72
    n-butanol 162.84
    acetonitrile 218.07
    DMF 1136.65
    toluene 1512.39
    isobutanol 161.67
    1,4-dioxane 1577.56
    methyl acetate 826.96
    THF 4173.8
    2-butanone 1147.92
    n-pentanol 164.69
    sec-butanol 182.42
    n-hexane 351.95
    ethylene glycol 6.7
    NMP 2699.82
    cyclohexane 526.95
    DMSO 487.58
    n-butyl acetate 1007.15
    n-octanol 211.12
    chloroform 3181.38
    n-propyl acetate 728.22
    acetic acid 163.17
    dichloromethane 3763.14
    cyclohexanone 2643.89
    propylene glycol 20.39
    isopropyl acetate 849.47
    DMAc 1447.37
    2-ethoxyethanol 177.62
    isopentanol 191.14
    n-heptane 234.18
    ethyl formate 371.25
    1,2-dichloroethane 2424.66
    n-hexanol 290.99
    2-methoxyethanol 188.96
    isobutyl acetate 644.68
    tetrachloromethane 540.18
    n-pentyl acetate 797.75
    transcutol 432.43
    n-heptanol 213.57
    ethylbenzene 627.98
    MIBK 724.26
    2-propoxyethanol 360.76
    tert-butanol 187.16
    MTBE 707.27
    2-butoxyethanol 277.92
    propionic acid 213.26
    o-xylene 754.76
    formic acid 15.63
    diethyl ether 889.41
    m-xylene 921.18
    p-xylene 916.23
    chlorobenzene 1936.92
    dimethyl carbonate 526.09
    n-octane 131.41
    formamide 47.59
    cyclopentanone 3763.47
    2-pentanone 1200.95
    anisole 798.23
    cyclopentyl methyl ether 2294.76
    gamma-butyrolactone 2994.87
    1-methoxy-2-propanol 240.95
    pyridine 1948.37
    3-pentanone 1230.95
    furfural 1502.51
    n-dodecane 69.36
    diethylene glycol 97.56
    diisopropyl ether 412.79
    tert-amyl alcohol 245.64
    acetylacetone 1516.0
    n-hexadecane 86.16
    acetophenone 829.38
    methyl propionate 1067.04
    isopentyl acetate 955.33
    trichloroethylene 4690.1
    n-nonanol 226.42
    cyclohexanol 462.55
    benzyl alcohol 344.22
    2-ethylhexanol 318.73
    isooctanol 197.63
    dipropyl ether 687.31
    1,2-dichlorobenzene 1585.9
    ethyl lactate 186.38
    propylene carbonate 1417.71
    n-methylformamide 229.83
    2-pentanol 199.48
    n-pentane 216.77
    1-propoxy-2-propanol 367.0
    1-methoxy-2-propyl acetate 930.53
    2-(2-methoxypropoxy) propanol 261.15
    mesitylene 550.6
    ε-caprolactone 1929.03
    p-cymene 381.17
    epichlorohydrin 3134.96
    1,1,1-trichloroethane 2634.67
    2-aminoethanol 24.48
    morpholine-4-carbaldehyde 1445.84
    sulfolane 2873.14
    2,2,4-trimethylpentane 107.27
    2-methyltetrahydrofuran 2763.82
    n-hexyl acetate 909.99
    isooctane 78.24
    2-(2-butoxyethoxy)ethanol 302.6
    sec-butyl acetate 595.76
    tert-butyl acetate 926.95
    decalin 252.66
    glycerin 22.17
    diglyme 727.73
    acrylic acid 173.25
    isopropyl myristate 384.54
    n-butyric acid 388.05
    acetyl acetate 742.51
    di(2-ethylhexyl) phthalate 280.19
    ethyl propionate 720.55
    nitromethane 516.62
    1,2-diethoxyethane 632.77
    benzonitrile 550.83
    trioctyl phosphate 223.73
    1-bromopropane 1429.12
    gamma-valerolactone 2594.58
    n-decanol 170.59
    triethyl phosphate 332.67
    4-methyl-2-pentanol 147.3
    propionitrile 274.57
    vinylene carbonate 1013.88
    1,1,2-trichlorotrifluoroethane 768.33
    DMS 919.38
    cumene 378.56
    2-octanol 202.64
    2-hexanone 802.61
    octyl acetate 486.15
    limonene 610.11
    1,2-dimethoxyethane 733.36
    ethyl orthosilicate 321.66
    tributyl phosphate 261.52
    diacetone alcohol 513.58
    N,N-dimethylaniline 562.28
    acrylonitrile 305.81
    aniline 686.38
    1,3-propanediol 56.02
    bromobenzene 2750.37
    dibromomethane 2354.59
    1,1,2,2-tetrachloroethane 3171.11
    2-methyl-cyclohexyl acetate 707.8
    tetrabutyl urea 377.11
    diisobutyl methanol 193.64
    2-phenylethanol 460.92
    styrene 807.87
    dioctyl adipate 500.37
    dimethyl sulfate 889.46
    ethyl butyrate 778.01
    methyl lactate 202.03
    butyl lactate 323.74
    diethyl carbonate 438.21
    propanediol butyl ether 158.34
    triethyl orthoformate 518.3
    p-tert-butyltoluene 381.65
    methyl 4-tert-butylbenzoate 667.28
    morpholine 1329.08
    tert-butylamine 164.12
    n-dodecanol 133.55
    dimethoxymethane 911.97
    ethylene carbonate 872.27
    cyrene 438.56
    2-ethoxyethyl acetate 835.42
    2-ethylhexyl acetate 897.16
    1,2,4-trichlorobenzene 1844.79
    4-methylpyridine 1894.45
    dibutyl ether 547.1
    2,6-dimethyl-4-heptanol 193.64
    DEF 1297.77
    dimethyl isosorbide 931.76
    tetrachloroethylene 1726.67
    eugenol 382.54
    triacetin 670.34
    span 80 296.92
    1,4-butanediol 35.2
    1,1-dichloroethane 2009.05
    2-methyl-1-pentanol 213.65
    methyl formate 287.7
    2-methyl-1-butanol 208.65
    n-decane 136.62
    butyronitrile 336.95
    3,7-dimethyl-1-octanol 210.7
    1-chlorooctane 467.01
    1-chlorotetradecane 174.74
    n-nonane 141.57
    undecane 92.93
    tert-butylcyclohexane 190.41
    cyclooctane 262.02
    cyclopentanol 583.98
    tetrahydropyran 2175.82
    tert-amyl methyl ether 654.09
    2,5,8-trioxanonane 457.64
    1-hexene 591.81
    2-isopropoxyethanol 208.02
    2,2,2-trifluoroethanol 84.46
    methyl butyrate 895.56

    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