Dicyclohexylcarbodiimide

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  • Identifiers

    CAS number
    538-75-0

    Molecular formula
    C13H22N2

    SMILES
    C1CCC(CC1)N=C=NC2CCCCC2

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Green 66.15%
    Pungent 32.52%
    Radish 30.79%
    Sweet 30.41%
    Fatty 29.86%
    Fishy 29.57%
    Aldehydic 29.31%
    Metallic 28.7%
    Herbal 27.78%
    Fresh 27.21%

     

    Flavor
    Bitter 28.96%
    Animal 27.36%
    Shrimp 23.68%
    Alkaline 23.48%
    Cereal 20.68%
    Nitrile 20.29%
    Terpentine 20.11%
    Ammoniacal 19.88%
    Very strong 19.68%
    Oriental 19.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    4.95 (weak acid)

    Molecular weight
    206.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 93 to 95 °F (NTP, 1992)
    • 34.5 °C

    Boiling point

    • 252 to 255 °F at 6 mmHg (NTP, 1992)
    • BP: 154-156 °C at 11 mm Hg

    Flash point

    • 143.88 ˚C est.
    • greater than 235 °F (NTP, 1992)
    • Flash Point > 235 °F

    Solubility expt.

    • Reaction (NTP, 1992)
    • Moisture sensitive, reacts with water
    • Soluble in organic solvents

  • Synonyms

    • DICYCLOHEXYLCARBODIIMIDE
    • 538-75-0
    • N,N'-Dicyclohexylcarbodiimide
    • 1,3-Dicyclohexylcarbodiimide
    • DCCD
    • DCCI
    • n,n-dicyclohexylcarbodiimide
    • Carbodicyclohexylimide
    • Bis(cyclohexyl)carbodiimide
    • DCC
    • Cyclohexanamine, N,N'-methanetetraylbis-
    • dicyclohexylmethanediimine
    • n,n'-methanediylidenedicyclohexanamine
    • Carbodiimide, dicyclohexyl-
    • Dicylcohexylcarbodiimide
    • DCC Crosslinker
    • N,N'-Methanetetraylbiscyclohexaamine
    • Dicyclohexyl-Carbodiimide
    • NSC 30022
    • N,N'-dicyclohexylmethanediimine
    • CHEBI:53090
    • N,N-dicyclohexylcarbodiimide(DCC)
    • EINECS 208-704-1
    • BRN 0610662
    • CCRIS 9266
    • DTXSID1023817
    • AI3-08191
    • HSDB 8049
    • dicyclohexyl carbodiimide
    • UNII-0T1427205E
    • C13H22N2
    • MFCD00011659
    • NSC-30022
    • NSC-53373
    • NSC-57182
    • 1,3dicyclohexylcarbodiimide
    • N,N'dicyclohexylcarbodiimide
    • Cyclohexaamine, N,N'-methanetetraylbis-
    • DTXCID003817
    • CARBODIIMIDE,DICYCLOHEXYL
    • 0T1427205E
    • EC 208-704-1
    • 4-12-00-00072 (Beilstein Handbook Reference)
    • Methanediimine, N,N'-dicyclohexyl-
    • DICYCLOHEXYLCARBODIIMIDE [MI]
    • DICYCLOHEXYLCARBODIIMIDE [HSDB]
    • Cyclohexanamine,N'-methanetetraylbis-
    • N,N'-Dicyclohexylcarbodiimide (DCC)
    • CAS-538-75-0
    • Dicyclimide;1,3-dicyclohexylcarbodiimide;N,N-Dicyclohexylcarbodiimide;N,N'-Methanediylidenedicyclohexanamine
    • n,n'-dicyclohexylcarbodiimid
    • N,N'-dicyclohexylcarbodimide
    • N,N'-DICYCLOHEXYL-CARBODIIMIDE
    • dicyclohexylcarbodiimid
    • dicyclohexylcarbodimide
    • dicylohexylcarbodiimide
    • Dicylcohexylcarbodimide
    • dicyciohexylcarbodiimide
    • Dicyclohexyicarbodiimide
    • dicyclohexyl carbodimide
    • dicylohexyl-carbodiimide
    • dicyclo-hexylcarbodiimide
    • dicyclohe-xylcarbodiimide
    • dicyclohexylcarbo-diimide
    • dicyclohexylcarbod iimide
    • dicyclohexylcarbodi-imide
    • DICYCLOCARBODIIMIDE
    • Carbodiimide, dicyclohexyl
    • Dicyclohexyl carbo diimide
    • Dicyclohexyl-carboxydilmide
    • SCHEMBL303
    • Epitope ID:114067
    • 1,3-dicyclohexylcarbodiimid
    • 1,3-dicyclohexylcarbodimide
    • 1.3-dicyclohexylcarbodimide
    • n,n'-dicylohexylcarbodiimide
    • 1,3-dicylcohexylcarbodiimide
    • 1.3-dicyclohexylcarbodiimide
    • N, N'dicyclohexylcarbodimide
    • 1,N'-dicyclohexylcarbodimide
    • n.n'-dicyclohexylcarbodiimide
    • N,N'-dicylcohexylcarbodiimide
    • 1, 3-dicyclohexylcarbodiimide
    • 1,3- dicyclohexylcarbodiimide
    • 1,3-dicyclo-hexylcarbodiimide
    • 1,3-dicyclohexyl carbodiimide
    • 1,3-dicyclohexyl-carbodiimide
    • 1,3-dicyclohexylcarbo-diimide
    • N, N'-dicyclohexylcarbodimide
    • N,N'-Dicyclohexyl carbodimide
    • n,n'-dicyclohexyl carbodiimide
    • N, N'-dicyclohexylcarbodiimide
    • N,N'-dicyclo hexylcarbodiimide
    • N,N'-dicyclo-hexylcarbodiimide
    • 1,3-di-cyclohexyl carbodiimide
    • 1,3-dicyclo hexyl carbodiimide
    • 1,3-dicyclohexyl carbo-diimide
    • 1,3-dicyclohexyl- carbodiimide
    • CHEMBL162598
    • N,N,-dichyclohexyl-carbodiimide
    • N, N'-dicyclohexyl carbodiimide
    • N,N'- dicyclohexyl carbodiimide
    • N,N'-dicyclo hexyl carbodiimide
    • N.N' - dicyclohexylcarbodiimide
    • BDBM129231
    • N,N'Methanetetraylbiscyclohexaamine
    • DCC, 99%
    • HY-Y1092
    • NSC30022
    • NSC53373
    • NSC57182
    • DCC, 1.0 M in methylene chloride
    • Tox21_203000
    • Tox21_303237
    • BBL012208
    • N,N'-Methanetetraylbiscyclohexanamine
    • STL089892
    • Cyclohexaamine, N,N'methanetetraylbis
    • AKOS000120067
    • Cyclohexanamine, N,N'methanetetraylbis
    • N,N'-Meth-anetetraylbiscyclohexanamine
    • US8815951, dicyclohexylcarbodiimide
    • CS-W020097
    • FD05508
    • N,N'-methanediylidene-dicyclohexanamine
    • US8815951, N/A
    • DCC, puriss., >=99.0% (GC)
    • NCGC00091497-01

  • Applications

    Dicyclohexylcarbodiimide (CAS 538-75-0) is primarily used as a coupling reagent for amide bond formation in peptide synthesis, notably in solution-phase strategies; it activates carboxylic acids to form reactive O-acylisourea intermediates that enable ester and amide coupling; typical applications include pharmaceutical intermediate and natural product synthesis, polymer chemistry for polyamide formation or polymer functionalization, and coatings, inks, or adhesives where covalent linkage via amide or ester bonds is desirable; overall, it serves as a coupling reagent in organic synthesis, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 106.27
    methanol 70.39
    isopropanol 111.73
    water 0.05
    ethyl acetate 551.16
    n-propanol 125.01
    acetone 727.4
    n-butanol 139.83
    acetonitrile 260.21
    DMF 945.57
    toluene 648.29
    isobutanol 123.4
    1,4-dioxane 831.03
    methyl acetate 431.93
    THF 1964.85
    2-butanone 541.17
    n-pentanol 105.87
    sec-butanol 120.57
    n-hexane 131.84
    ethylene glycol 17.2
    NMP 1139.69
    cyclohexane 395.82
    DMSO 660.16
    n-butyl acetate 560.4
    n-octanol 110.73
    chloroform 3292.79
    n-propyl acetate 350.04
    acetic acid 307.16
    dichloromethane 2743.67
    cyclohexanone 1392.78
    propylene glycol 41.09
    isopropyl acetate 408.61
    DMAc 729.47
    2-ethoxyethanol 145.69
    isopentanol 164.68
    n-heptane 107.6
    ethyl formate 327.92
    1,2-dichloroethane 1639.4
    n-hexanol 172.7
    2-methoxyethanol 252.07
    isobutyl acetate 262.57
    tetrachloromethane 402.9
    n-pentyl acetate 358.32
    transcutol 834.05
    n-heptanol 100.89
    ethylbenzene 308.67
    MIBK 352.11
    2-propoxyethanol 270.91
    tert-butanol 164.19
    MTBE 261.16
    2-butoxyethanol 208.7
    propionic acid 243.58
    o-xylene 342.56
    formic acid 47.06
    diethyl ether 334.78
    m-xylene 346.85
    p-xylene 433.13
    chlorobenzene 1215.55
    dimethyl carbonate 282.45
    n-octane 48.3
    formamide 99.92
    cyclopentanone 1888.77
    2-pentanone 525.82
    anisole 428.91
    cyclopentyl methyl ether 809.7
    gamma-butyrolactone 1848.87
    1-methoxy-2-propanol 248.42
    pyridine 1342.17
    3-pentanone 495.16
    furfural 1427.4
    n-dodecane 34.34
    diethylene glycol 130.07
    diisopropyl ether 171.73
    tert-amyl alcohol 148.42
    acetylacetone 818.27
    n-hexadecane 42.56
    acetophenone 440.33
    methyl propionate 453.29
    isopentyl acetate 521.45
    trichloroethylene 3497.0
    n-nonanol 119.18
    cyclohexanol 327.26
    benzyl alcohol 257.36
    2-ethylhexanol 178.97
    isooctanol 99.02
    dipropyl ether 376.04
    1,2-dichlorobenzene 1116.44
    ethyl lactate 156.67
    propylene carbonate 1010.75
    n-methylformamide 269.33
    2-pentanol 127.85
    n-pentane 85.28
    1-propoxy-2-propanol 286.12
    1-methoxy-2-propyl acetate 481.06
    2-(2-methoxypropoxy) propanol 256.04
    mesitylene 249.66
    ε-caprolactone 977.54
    p-cymene 186.87
    epichlorohydrin 1771.66
    1,1,1-trichloroethane 1620.15
    2-aminoethanol 48.64
    morpholine-4-carbaldehyde 816.88
    sulfolane 1995.21
    2,2,4-trimethylpentane 46.9
    2-methyltetrahydrofuran 1030.19
    n-hexyl acetate 437.31
    isooctane 40.1
    2-(2-butoxyethoxy)ethanol 329.21
    sec-butyl acetate 271.83
    tert-butyl acetate 437.84
    decalin 145.55
    glycerin 71.19
    diglyme 708.49
    acrylic acid 257.33
    isopropyl myristate 218.43
    n-butyric acid 464.56
    acetyl acetate 529.48
    di(2-ethylhexyl) phthalate 179.87
    ethyl propionate 358.76
    nitromethane 638.48
    1,2-diethoxyethane 484.59
    benzonitrile 570.83
    trioctyl phosphate 118.89
    1-bromopropane 772.83
    gamma-valerolactone 1507.76
    n-decanol 92.74
    triethyl phosphate 227.62
    4-methyl-2-pentanol 111.35
    propionitrile 283.15
    vinylene carbonate 854.68
    1,1,2-trichlorotrifluoroethane 840.09
    DMS 409.21
    cumene 193.73
    2-octanol 85.94
    2-hexanone 345.6
    octyl acetate 245.37
    limonene 285.45
    1,2-dimethoxyethane 514.6
    ethyl orthosilicate 203.47
    tributyl phosphate 176.58
    diacetone alcohol 339.8
    N,N-dimethylaniline 286.96
    acrylonitrile 398.25
    aniline 510.71
    1,3-propanediol 98.65
    bromobenzene 1639.88
    dibromomethane 1770.65
    1,1,2,2-tetrachloroethane 2809.24
    2-methyl-cyclohexyl acetate 341.28
    tetrabutyl urea 220.62
    diisobutyl methanol 147.59
    2-phenylethanol 273.79
    styrene 447.25
    dioctyl adipate 304.4
    dimethyl sulfate 474.52
    ethyl butyrate 436.45
    methyl lactate 207.91
    butyl lactate 243.94
    diethyl carbonate 330.76
    propanediol butyl ether 160.94
    triethyl orthoformate 333.71
    p-tert-butyltoluene 186.47
    methyl 4-tert-butylbenzoate 366.89
    morpholine 767.14
    tert-butylamine 135.33
    n-dodecanol 78.23
    dimethoxymethane 498.15
    ethylene carbonate 693.53
    cyrene 253.24
    2-ethoxyethyl acetate 401.58
    2-ethylhexyl acetate 440.75
    1,2,4-trichlorobenzene 1216.07
    4-methylpyridine 1116.23
    dibutyl ether 334.27
    2,6-dimethyl-4-heptanol 147.59
    DEF 580.38
    dimethyl isosorbide 611.95
    tetrachloroethylene 1648.61
    eugenol 274.08
    triacetin 405.91
    span 80 288.27
    1,4-butanediol 39.61
    1,1-dichloroethane 1417.49
    2-methyl-1-pentanol 119.24
    methyl formate 275.85
    2-methyl-1-butanol 134.31
    n-decane 57.31
    butyronitrile 326.39
    3,7-dimethyl-1-octanol 162.13
    1-chlorooctane 206.16
    1-chlorotetradecane 96.8
    n-nonane 55.65
    undecane 42.2
    tert-butylcyclohexane 97.17
    cyclooctane 141.46
    cyclopentanol 373.03
    tetrahydropyran 1018.05
    tert-amyl methyl ether 231.74
    2,5,8-trioxanonane 472.36
    1-hexene 275.05
    2-isopropoxyethanol 128.76
    2,2,2-trifluoroethanol 145.63
    methyl butyrate 497.33

    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