[3-(dibenzylamino)cyclohexyl] N-methylcarbamate

  • Identifiers

    Molecular formula
    C22H28N2O2

    SMILES
    CNC(=O)OC1CCCC(C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

  • Odor profile

    Fragrance
    Sweet 34.18%
    Fruity 32.22%
    Floral 28.99%
    Animal 26.33%
    Grape 25.85%
    Odorless 25.76%
    Citrus 25.04%
    Cooling 24.15%
    Balsamic 23.35%
    Bitter 22.82%

     

    Flavor
    Fruity 42.39%
    Bitter 35.11%
    Waxy 28.72%
    Mild 28.59%
    Sweet 27.87%
    Floral 27.04%
    Odorless 24.09%
    Green 21.93%
    Pastry 19.92%
    Honeysuckle 19.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.73 (neutral)

    Molecular weight
    352.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    487°C

    Flash point

    • 215.37 ˚C est.

  • Synonyms

    • NSC128134
    • NSC-128134
  • Applications

    [3-(dibenzylamino)cyclohexyl] N-methylcarbamate applications include its use as an intermediate in agrochemical synthesis, particularly for carbamate-based insecticides; as a building block or protected-amine scaffold in pharmaceutical research and development; as a precursor for polymer or coating formulations that incorporate carbamate functionality; and as a reference or building block in organic synthesis for carbamate chemistry studies. Use is generally subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.27
    methanol 50.03
    isopropanol 18.85
    water 0.25
    ethyl acetate 50.22
    n-propanol 37.43
    acetone 75.08
    n-butanol 35.91
    acetonitrile 21.2
    DMF 103.5
    toluene 40.04
    isobutanol 28.37
    1,4-dioxane 73.07
    methyl acetate 47.63
    THF 140.87
    2-butanone 85.5
    n-pentanol 36.84
    sec-butanol 29.13
    n-hexane 1.25
    ethylene glycol 5.39
    NMP 86.97
    cyclohexane 1.9
    DMSO 125.91
    n-butyl acetate 42.35
    n-octanol 10.74
    chloroform 366.66
    n-propyl acetate 43.7
    acetic acid 82.42
    dichloromethane 325.66
    cyclohexanone 116.05
    propylene glycol 15.41
    isopropyl acetate 35.98
    DMAc 244.86
    2-ethoxyethanol 73.9
    isopentanol 33.68
    n-heptane 1.01
    ethyl formate 45.99
    1,2-dichloroethane 171.46
    n-hexanol 24.36
    2-methoxyethanol 71.21
    isobutyl acetate 31.54
    tetrachloromethane 18.33
    n-pentyl acetate 30.65
    transcutol 179.41
    n-heptanol 17.7
    ethylbenzene 16.66
    MIBK 39.86
    2-propoxyethanol 64.09
    tert-butanol 19.33
    MTBE 20.84
    2-butoxyethanol 50.24
    propionic acid 46.81
    o-xylene 22.05
    formic acid 38.49
    diethyl ether 28.58
    m-xylene 21.49
    p-xylene 21.35
    chlorobenzene 66.33
    dimethyl carbonate 32.91
    n-octane 0.69
    formamide 60.34
    cyclopentanone 125.0
    2-pentanone 63.96
    anisole 35.13
    cyclopentyl methyl ether 46.98
    gamma-butyrolactone 127.9
    1-methoxy-2-propanol 58.1
    pyridine 92.86
    3-pentanone 55.59
    furfural 129.9
    n-dodecane 0.62
    diethylene glycol 43.78
    diisopropyl ether 7.51
    tert-amyl alcohol 25.41
    acetylacetone 71.15
    n-hexadecane 0.72
    acetophenone 49.54
    methyl propionate 49.38
    isopentyl acetate 39.91
    trichloroethylene 336.36
    n-nonanol 12.23
    cyclohexanol 32.84
    benzyl alcohol 45.9
    2-ethylhexanol 17.0
    isooctanol 16.09
    dipropyl ether 16.25
    1,2-dichlorobenzene 60.77
    ethyl lactate 34.15
    propylene carbonate 81.85
    n-methylformamide 49.71
    2-pentanol 20.69
    n-pentane 0.95
    1-propoxy-2-propanol 43.48
    1-methoxy-2-propyl acetate 54.82
    2-(2-methoxypropoxy) propanol 42.97
    mesitylene 11.17
    ε-caprolactone 91.64
    p-cymene 10.64
    epichlorohydrin 192.72
    1,1,1-trichloroethane 78.86
    2-aminoethanol 20.5
    morpholine-4-carbaldehyde 95.39
    sulfolane 145.72
    2,2,4-trimethylpentane 1.65
    2-methyltetrahydrofuran 62.58
    n-hexyl acetate 30.79
    isooctane 0.89
    2-(2-butoxyethoxy)ethanol 57.92
    sec-butyl acetate 30.23
    tert-butyl acetate 33.8
    decalin 2.18
    glycerin 26.19
    diglyme 112.79
    acrylic acid 47.81
    isopropyl myristate 12.1
    n-butyric acid 68.35
    acetyl acetate 37.96
    di(2-ethylhexyl) phthalate 21.6
    ethyl propionate 34.24
    nitromethane 104.4
    1,2-diethoxyethane 46.47
    benzonitrile 41.78
    trioctyl phosphate 12.64
    1-bromopropane 59.81
    gamma-valerolactone 161.96
    n-decanol 9.05
    triethyl phosphate 24.03
    4-methyl-2-pentanol 16.02
    propionitrile 27.85
    vinylene carbonate 81.37
    1,1,2-trichlorotrifluoroethane 155.99
    DMS 36.48
    cumene 11.77
    2-octanol 9.59
    2-hexanone 48.49
    octyl acetate 16.44
    limonene 13.13
    1,2-dimethoxyethane 84.91
    ethyl orthosilicate 23.16
    tributyl phosphate 16.38
    diacetone alcohol 44.08
    N,N-dimethylaniline 25.92
    acrylonitrile 35.4
    aniline 51.74
    1,3-propanediol 31.89
    bromobenzene 63.76
    dibromomethane 180.96
    1,1,2,2-tetrachloroethane 279.98
    2-methyl-cyclohexyl acetate 32.12
    tetrabutyl urea 21.43
    diisobutyl methanol 9.9
    2-phenylethanol 37.74
    styrene 21.0
    dioctyl adipate 23.81
    dimethyl sulfate 57.97
    ethyl butyrate 34.0
    methyl lactate 39.01
    butyl lactate 35.49
    diethyl carbonate 26.34
    propanediol butyl ether 36.77
    triethyl orthoformate 30.31
    p-tert-butyltoluene 9.08
    methyl 4-tert-butylbenzoate 43.42
    morpholine 86.95
    tert-butylamine 10.09
    n-dodecanol 6.55
    dimethoxymethane 76.71
    ethylene carbonate 66.02
    cyrene 56.45
    2-ethoxyethyl acetate 52.81
    2-ethylhexyl acetate 32.37
    1,2,4-trichlorobenzene 73.52
    4-methylpyridine 78.39
    dibutyl ether 13.18
    2,6-dimethyl-4-heptanol 9.9
    DEF 67.6
    dimethyl isosorbide 72.04
    tetrachloroethylene 153.32
    eugenol 45.23
    triacetin 45.33
    span 80 36.78
    1,4-butanediol 20.06
    1,1-dichloroethane 113.4
    2-methyl-1-pentanol 36.46
    methyl formate 44.63
    2-methyl-1-butanol 34.98
    n-decane 1.12
    butyronitrile 34.02
    3,7-dimethyl-1-octanol 12.76
    1-chlorooctane 6.83
    1-chlorotetradecane 2.71
    n-nonane 0.9
    undecane 0.79
    tert-butylcyclohexane 1.73
    cyclooctane 0.74
    cyclopentanol 30.71
    tetrahydropyran 67.19
    tert-amyl methyl ether 23.8
    2,5,8-trioxanonane 73.09
    1-hexene 9.5
    2-isopropoxyethanol 51.73
    2,2,2-trifluoroethanol 40.16
    methyl butyrate 49.71

    Scent© AI

1 of 4
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