cyclohexyl N-phenylcarbamate

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  • Identifiers

    CAS number
    3770-95-4

    Molecular formula
    C13H17NO2

    SMILES
    C1CCC(CC1)OC(=O)NC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 67.35%
    Floral 46.75%
    Honey 40.27%
    Sweet 39.69%
    Grape 37.09%
    Balsamic 35.89%
    Rose 29.83%
    Herbal 28.19%
    Animal 26.48%
    Tropical 26.27%

     

    Flavor
    Sweet 54.63%
    Fruity 44.13%
    Floral 43.4%
    Honey 32.92%
    Rose 31.6%
    Balsam 31.48%
    Mild 28.73%
    Waxy 27.11%
    Odorless 25.01%
    Musty 22.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.91 (neutral)

    Molecular weight
    219.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point

    • 151.24 ˚C est.

  • Synonyms

    • cyclohexyl N-phenylcarbamate
    • RefChem:580818
    • 700-385-1
    • cyclohexyl phenylcarbamate
    • 3770-95-4
    • CYCLOHEXYL CARBANILATE
    • NSC59905
    • cyclohexylphenylcarbamate
    • Enamine_005873
    • SCHEMBL2576912
    • URB602, 3b
    • BDBM81312
    • DTXSID10289228
    • HMS1410K21
    • NSC-59905
    • AKOS001021946
    • EBC-612361
    • IDI1_008108
    • Carbamic acid, phenyl-, cyclohexyl ester
    • Carbamic acid, N-phenyl-, cyclohexyl ester
    • DB-032403
    • CS-0347649
    • NS00120660
    • L10133
    • SR-01000025151
    • SR-01000025151-1
    • Z55289720
    • 3770-95-4

  • Applications

    cyclohexyl N-phenylcarbamate (CAS 3770-95-4) is an organic carbamate that serves mainly as an intermediate and building block in chemical synthesis, notably as an amine-protecting carbamate in organic reactions. In pharmaceutical and agrochemical development, it is commonly evaluated as a precursor to more complex carbamate derivatives for active ingredients and related agrochemicals. It can also function as a component or precursor in the production of polymers and coatings containing carbamate groups, supporting industrial applications such as polyurethanes and protective coatings. Additionally, as a carbamate building unit, it may be used in the development of materials for adhesives and related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 204.16
    methanol 259.34
    isopropanol 123.29
    water 0.13
    ethyl acetate 159.84
    n-propanol 160.48
    acetone 397.2
    n-butanol 134.1
    acetonitrile 126.66
    DMF 1140.07
    toluene 50.62
    isobutanol 106.69
    1,4-dioxane 321.05
    methyl acetate 154.05
    THF 579.79
    2-butanone 220.66
    n-pentanol 94.13
    sec-butanol 100.81
    n-hexane 5.61
    ethylene glycol 37.62
    NMP 502.9
    cyclohexane 10.77
    DMSO 924.54
    n-butyl acetate 146.79
    n-octanol 37.79
    chloroform 611.13
    n-propyl acetate 111.91
    acetic acid 252.98
    dichloromethane 488.19
    cyclohexanone 357.42
    propylene glycol 69.97
    isopropyl acetate 110.15
    DMAc 718.62
    2-ethoxyethanol 133.49
    isopentanol 115.04
    n-heptane 3.35
    ethyl formate 120.71
    1,2-dichloroethane 417.57
    n-hexanol 98.03
    2-methoxyethanol 292.14
    isobutyl acetate 79.86
    tetrachloromethane 20.77
    n-pentyl acetate 72.46
    transcutol 567.52
    n-heptanol 42.11
    ethylbenzene 36.74
    MIBK 117.05
    2-propoxyethanol 191.86
    tert-butanol 121.2
    MTBE 89.98
    2-butoxyethanol 108.45
    propionic acid 156.55
    o-xylene 35.42
    formic acid 81.4
    diethyl ether 101.53
    m-xylene 35.17
    p-xylene 54.41
    chlorobenzene 168.19
    dimethyl carbonate 100.77
    n-octane 2.1
    formamide 153.01
    cyclopentanone 508.01
    2-pentanone 176.61
    anisole 109.33
    cyclopentyl methyl ether 138.32
    gamma-butyrolactone 513.07
    1-methoxy-2-propanol 223.56
    pyridine 347.94
    3-pentanone 135.8
    furfural 392.75
    n-dodecane 3.01
    diethylene glycol 153.58
    diisopropyl ether 26.08
    tert-amyl alcohol 90.56
    acetylacetone 258.54
    n-hexadecane 3.47
    acetophenone 117.85
    methyl propionate 162.08
    isopentyl acetate 131.78
    trichloroethylene 744.33
    n-nonanol 38.07
    cyclohexanol 105.58
    benzyl alcohol 92.27
    2-ethylhexanol 52.67
    isooctanol 36.47
    dipropyl ether 56.65
    1,2-dichlorobenzene 149.06
    ethyl lactate 68.68
    propylene carbonate 252.18
    n-methylformamide 257.98
    2-pentanol 70.94
    n-pentane 4.0
    1-propoxy-2-propanol 128.32
    1-methoxy-2-propyl acetate 147.08
    2-(2-methoxypropoxy) propanol 124.11
    mesitylene 24.25
    ε-caprolactone 257.42
    p-cymene 24.34
    epichlorohydrin 541.63
    1,1,1-trichloroethane 174.6
    2-aminoethanol 98.04
    morpholine-4-carbaldehyde 378.49
    sulfolane 586.06
    2,2,4-trimethylpentane 4.14
    2-methyltetrahydrofuran 245.3
    n-hexyl acetate 100.15
    isooctane 3.28
    2-(2-butoxyethoxy)ethanol 177.67
    sec-butyl acetate 74.72
    tert-butyl acetate 110.84
    decalin 7.76
    glycerin 98.5
    diglyme 321.33
    acrylic acid 153.01
    isopropyl myristate 43.35
    n-butyric acid 207.14
    acetyl acetate 117.52
    di(2-ethylhexyl) phthalate 54.8
    ethyl propionate 97.64
    nitromethane 446.93
    1,2-diethoxyethane 140.2
    benzonitrile 142.16
    trioctyl phosphate 36.47
    1-bromopropane 144.6
    gamma-valerolactone 524.37
    n-decanol 30.14
    triethyl phosphate 52.03
    4-methyl-2-pentanol 48.82
    propionitrile 131.24
    vinylene carbonate 223.48
    1,1,2-trichlorotrifluoroethane 310.62
    DMS 115.54
    cumene 27.23
    2-octanol 26.55
    2-hexanone 128.2
    octyl acetate 55.64
    limonene 33.79
    1,2-dimethoxyethane 274.74
    ethyl orthosilicate 45.95
    tributyl phosphate 48.3
    diacetone alcohol 145.08
    N,N-dimethylaniline 71.34
    acrylonitrile 190.7
    aniline 109.99
    1,3-propanediol 143.14
    bromobenzene 158.86
    dibromomethane 293.54
    1,1,2,2-tetrachloroethane 652.85
    2-methyl-cyclohexyl acetate 80.01
    tetrabutyl urea 65.27
    diisobutyl methanol 31.2
    2-phenylethanol 92.14
    styrene 56.46
    dioctyl adipate 72.96
    dimethyl sulfate 174.76
    ethyl butyrate 94.27
    methyl lactate 110.46
    butyl lactate 80.36
    diethyl carbonate 73.21
    propanediol butyl ether 105.05
    triethyl orthoformate 67.84
    p-tert-butyltoluene 23.41
    methyl 4-tert-butylbenzoate 97.81
    morpholine 381.66
    tert-butylamine 63.23
    n-dodecanol 24.2
    dimethoxymethane 296.72
    ethylene carbonate 186.73
    cyrene 112.94
    2-ethoxyethyl acetate 110.63
    2-ethylhexyl acetate 95.31
    1,2,4-trichlorobenzene 174.84
    4-methylpyridine 243.22
    dibutyl ether 51.98
    2,6-dimethyl-4-heptanol 31.2
    DEF 235.42
    dimethyl isosorbide 199.98
    tetrachloroethylene 299.07
    eugenol 109.02
    triacetin 111.92
    span 80 105.0
    1,4-butanediol 50.66
    1,1-dichloroethane 275.88
    2-methyl-1-pentanol 83.66
    methyl formate 179.38
    2-methyl-1-butanol 96.0
    n-decane 4.06
    butyronitrile 130.87
    3,7-dimethyl-1-octanol 45.32
    1-chlorooctane 24.49
    1-chlorotetradecane 12.28
    n-nonane 3.15
    undecane 3.43
    tert-butylcyclohexane 6.43
    cyclooctane 2.76
    cyclopentanol 138.14
    tetrahydropyran 279.33
    tert-amyl methyl ether 64.3
    2,5,8-trioxanonane 226.37
    1-hexene 36.89
    2-isopropoxyethanol 91.79
    2,2,2-trifluoroethanol 75.37
    methyl butyrate 149.98

    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