N-p-Benzeneacetonitrile menthanecarboxamide

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  • Identifiers

    CAS number
    1187627-98-0

    Molecular formula
    C19H26N2O

    SMILES
    C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)CC#N)C(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Cooling 36.87%
    Mint 34.39%
    Grapefruit 31.52%
    Citrus 30.14%
    Animal 28.66%
    Odorless 28.46%
    Spicy 24.63%
    Fresh 24.22%
    Savory 22.47%
    Herbal 21.92%

     

    Flavor
    Bitter 37.78%
    Odorless 26.58%
    Mild 25.56%
    Herbal 25.02%
    Cedarleaf 19.99%
    Nitrile 19.85%
    Terpentine 18.92%
    Green pepper 18.82%
    Creosote 18.78%
    Orange flower 18.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.47 (neutral)

    Molecular weight
    298.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    525°C

    Flash point

    • 195.67 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Very slightly soluble (in ethanol)

  • Synonyms

    • Evercool 180
    • FEMA no. 4496
    • N-p-Benzeneacetonitrile menthanecarboxamide
    • UNII-1G0T9SG12U
    • 1187627-98-0
    • 1G0T9SG12U
    • N-para-Benzene acetonitrile menthane carboxamide
    • N-p-Benzeneacetonitrile menthanecarboxamide, (-)-
    • N-p-Benzeneacetonitrile menthanecarboxamide, (1R,3R,4S)-
    • EVERCOOL G-180
    • Cyclohexanecarboxamide, N-(4-(cyanomethyl)phenyl)-5-methyl-2-(1-methylethyl)-, (1R,2S,5R)-
    • DTXSID90152229
    • CYANOMETHYLPHENYL MENTHANE CARBOXAMIDE
    • G-180
    • N-(P-BENZENEACETONITRILE)MENTHANECARBOXAMIDE
    • RefChem:164077
    • DTXCID4074720
    • CYANOMETHYLPHENYL MENTHANE CARBOXAMIDE [INCI]
    • 852379-28-3
    • N-p-Benzene Acetonitrile Menthane Carboxamide
    • N-p- Benzene Acetonitrile Menthane Carboxamide
    • SCHEMBL584077
    • (1R,2S,5R)-N-[4-(cyanomethyl)phenyl]-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
    • NS00121380
    • Q27252372
    • (1R,2S,5R)-N-(4-(Cyanomethyl)phenyl)-5-methyl-2-(2-propanyl)cyclohexanecarboxamide
    • N-[4-(cyanomethyl)phenyl]-(1R,2S,5R)-2-isopropyl-5-methylcyclohexanecarboxamide
    • 852379-28-3

  • Applications

    N-p-Benzeneacetonitrile menthanecarboxamide (CAS 1187627-98-0) is typically used as an intermediate in organic synthesis, enabling subsequent transformations to build more complex molecules. In pharmaceutical research, it may serve as a synthetic building block for drug-like compounds. In polymers and plastics, it can function as a precursor for specialty polymers or as a functionalizing reagent. In coatings, inks, and adhesives, it may act as a reactive intermediate or formulation component. In industrial manufacturing, it is used as a chemical intermediate and, where permitted by regulations, may be employed as a processing aid or additive in specific formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.49
    methanol 118.67
    isopropanol 41.2
    water 0.38
    ethyl acetate 99.85
    n-propanol 59.88
    acetone 229.65
    n-butanol 47.21
    acetonitrile 76.77
    DMF 386.69
    toluene 43.3
    isobutanol 35.42
    1,4-dioxane 163.71
    methyl acetate 103.41
    THF 278.39
    2-butanone 146.76
    n-pentanol 39.2
    sec-butanol 25.53
    n-hexane 1.46
    ethylene glycol 22.08
    NMP 199.6
    cyclohexane 3.22
    DMSO 317.29
    n-butyl acetate 72.31
    n-octanol 21.77
    chloroform 317.36
    n-propyl acetate 64.56
    acetic acid 125.28
    dichloromethane 256.54
    cyclohexanone 197.75
    propylene glycol 29.41
    isopropyl acetate 64.09
    DMAc 358.97
    2-ethoxyethanol 80.89
    isopentanol 39.86
    n-heptane 1.27
    ethyl formate 79.34
    1,2-dichloroethane 180.9
    n-hexanol 44.87
    2-methoxyethanol 117.24
    isobutyl acetate 51.33
    tetrachloromethane 21.03
    n-pentyl acetate 46.31
    transcutol 198.5
    n-heptanol 26.96
    ethylbenzene 20.88
    MIBK 64.14
    2-propoxyethanol 105.46
    tert-butanol 37.79
    MTBE 27.91
    2-butoxyethanol 69.86
    propionic acid 74.27
    o-xylene 22.04
    formic acid 57.54
    diethyl ether 42.68
    m-xylene 26.1
    p-xylene 30.28
    chlorobenzene 94.03
    dimethyl carbonate 66.07
    n-octane 0.97
    formamide 85.03
    cyclopentanone 280.52
    2-pentanone 104.92
    anisole 55.46
    cyclopentyl methyl ether 58.74
    gamma-butyrolactone 252.31
    1-methoxy-2-propanol 88.02
    pyridine 156.69
    3-pentanone 84.31
    furfural 198.64
    n-dodecane 1.09
    diethylene glycol 88.22
    diisopropyl ether 10.61
    tert-amyl alcohol 23.62
    acetylacetone 163.94
    n-hexadecane 1.31
    acetophenone 68.83
    methyl propionate 88.96
    isopentyl acetate 67.91
    trichloroethylene 320.81
    n-nonanol 21.89
    cyclohexanol 35.39
    benzyl alcohol 55.04
    2-ethylhexanol 24.4
    isooctanol 22.38
    dipropyl ether 23.96
    1,2-dichlorobenzene 77.03
    ethyl lactate 43.12
    propylene carbonate 127.98
    n-methylformamide 129.83
    2-pentanol 21.37
    n-pentane 1.08
    1-propoxy-2-propanol 64.47
    1-methoxy-2-propyl acetate 87.51
    2-(2-methoxypropoxy) propanol 57.71
    mesitylene 14.81
    ε-caprolactone 124.47
    p-cymene 15.41
    epichlorohydrin 255.41
    1,1,1-trichloroethane 117.68
    2-aminoethanol 43.51
    morpholine-4-carbaldehyde 172.15
    sulfolane 263.78
    2,2,4-trimethylpentane 1.14
    2-methyltetrahydrofuran 97.02
    n-hexyl acetate 55.47
    isooctane 1.03
    2-(2-butoxyethoxy)ethanol 75.53
    sec-butyl acetate 42.75
    tert-butyl acetate 60.39
    decalin 2.46
    glycerin 45.81
    diglyme 153.83
    acrylic acid 78.03
    isopropyl myristate 22.24
    n-butyric acid 95.14
    acetyl acetate 87.62
    di(2-ethylhexyl) phthalate 33.23
    ethyl propionate 51.87
    nitromethane 238.43
    1,2-diethoxyethane 65.96
    benzonitrile 71.61
    trioctyl phosphate 22.31
    1-bromopropane 60.38
    gamma-valerolactone 273.32
    n-decanol 16.09
    triethyl phosphate 29.41
    4-methyl-2-pentanol 18.11
    propionitrile 64.6
    vinylene carbonate 125.01
    1,1,2-trichlorotrifluoroethane 177.44
    DMS 67.56
    cumene 15.11
    2-octanol 15.53
    2-hexanone 72.19
    octyl acetate 31.36
    limonene 17.47
    1,2-dimethoxyethane 126.4
    ethyl orthosilicate 27.26
    tributyl phosphate 25.87
    diacetone alcohol 71.13
    N,N-dimethylaniline 35.11
    acrylonitrile 88.61
    aniline 61.13
    1,3-propanediol 60.76
    bromobenzene 89.28
    dibromomethane 142.58
    1,1,2,2-tetrachloroethane 255.29
    2-methyl-cyclohexyl acetate 47.0
    tetrabutyl urea 35.22
    diisobutyl methanol 14.7
    2-phenylethanol 60.0
    styrene 27.23
    dioctyl adipate 40.45
    dimethyl sulfate 108.94
    ethyl butyrate 48.48
    methyl lactate 60.77
    butyl lactate 47.78
    diethyl carbonate 38.75
    propanediol butyl ether 51.45
    triethyl orthoformate 36.29
    p-tert-butyltoluene 13.8
    methyl 4-tert-butylbenzoate 61.92
    morpholine 158.55
    tert-butylamine 17.18
    n-dodecanol 11.81
    dimethoxymethane 150.32
    ethylene carbonate 103.85
    cyrene 74.82
    2-ethoxyethyl acetate 77.72
    2-ethylhexyl acetate 51.32
    1,2,4-trichlorobenzene 90.13
    4-methylpyridine 116.85
    dibutyl ether 19.66
    2,6-dimethyl-4-heptanol 14.7
    DEF 90.0
    dimethyl isosorbide 108.15
    tetrachloroethylene 142.26
    eugenol 67.28
    triacetin 67.71
    span 80 49.49
    1,4-butanediol 32.13
    1,1-dichloroethane 145.09
    2-methyl-1-pentanol 33.51
    methyl formate 114.49
    2-methyl-1-butanol 31.21
    n-decane 1.83
    butyronitrile 63.82
    3,7-dimethyl-1-octanol 21.05
    1-chlorooctane 12.96
    1-chlorotetradecane 5.12
    n-nonane 1.43
    undecane 1.36
    tert-butylcyclohexane 2.17
    cyclooctane 0.96
    cyclopentanol 49.36
    tetrahydropyran 122.11
    tert-amyl methyl ether 19.68
    2,5,8-trioxanonane 99.64
    1-hexene 10.81
    2-isopropoxyethanol 57.74
    2,2,2-trifluoroethanol 55.06
    methyl butyrate 72.11

    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