N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide

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  • Identifiers

    CAS number
    862731-61-1

    Molecular formula
    C18H28N2O

    SMILES
    CC1CCC(C(C1)C(=O)NCCC2=CC=CC=N2)C(C)C

  • Odor profile

    Fragrance
    Cooling 52.19%
    Mint 40.85%
    Odorless 32.84%
    Savory 32.66%
    Roasted 28.36%
    Meaty 27.31%
    Animal 25.24%
    Herbal 22.43%
    Fishy 20.22%
    Grapefruit 18.3%

     

    Flavor
    Herbal 36.8%
    Bitter 30.41%
    Green 24.12%
    Mild 23.74%
    Odorless 23.14%
    Pepper 21.83%
    Cedarleaf 21.37%
    Syrup 20.7%
    Tomato leaf 20.46%
    Green pepper 20.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.47 (neutral)

    Molecular weight
    288.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    421°C

    Flash point

    • 179.86 ˚C est.

    Solubility expt.

    • Slightly soluble in water
    • Very soluble (in ethanol)

  • Synonyms

    • DTXSID201020362
    • n-(2-(pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
    • 862731-61-1
    • SCHEMBL1159800
    • DTXCID70224872

  • Applications

    N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide (CAS 862731-61-1) is a chiral amide compound featuring a 2-pyridyl-ethyl substituent on the amide nitrogen. It is typically evaluated as a chiral ligand or ligand precursor for transition-metal catalysis, enabling asymmetric transformations in reactions such as hydrogenation, hydroformylation, and cross-coupling, and as a coordinating reagent in coordination chemistry studies. It also serves as an intermediate building block in the synthesis of fine chemicals and pharmaceuticals, and as a research tool in catalyst development to explore ligand effects and metal-ligand coordination. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.23
    methanol 202.74
    isopropanol 76.45
    water 0.81
    ethyl acetate 72.07
    n-propanol 109.12
    acetone 111.72
    n-butanol 99.37
    acetonitrile 44.94
    DMF 140.97
    toluene 93.93
    isobutanol 80.69
    1,4-dioxane 151.55
    methyl acetate 56.79
    THF 206.23
    2-butanone 97.62
    n-pentanol 73.1
    sec-butanol 56.45
    n-hexane 1.48
    ethylene glycol 18.3
    NMP 122.35
    cyclohexane 5.46
    DMSO 162.41
    n-butyl acetate 67.81
    n-octanol 23.32
    chloroform 454.15
    n-propyl acetate 54.27
    acetic acid 140.98
    dichloromethane 380.73
    cyclohexanone 203.15
    propylene glycol 32.7
    isopropyl acetate 52.42
    DMAc 170.4
    2-ethoxyethanol 93.13
    isopentanol 82.53
    n-heptane 1.37
    ethyl formate 74.48
    1,2-dichloroethane 185.08
    n-hexanol 67.48
    2-methoxyethanol 145.19
    isobutyl acetate 46.97
    tetrachloromethane 37.16
    n-pentyl acetate 45.91
    transcutol 215.58
    n-heptanol 37.88
    ethylbenzene 29.86
    MIBK 53.81
    2-propoxyethanol 117.3
    tert-butanol 59.61
    MTBE 35.41
    2-butoxyethanol 77.6
    propionic acid 73.64
    o-xylene 45.95
    formic acid 57.52
    diethyl ether 39.46
    m-xylene 53.57
    p-xylene 41.23
    chlorobenzene 126.93
    dimethyl carbonate 22.85
    n-octane 1.02
    formamide 62.67
    cyclopentanone 187.09
    2-pentanone 80.66
    anisole 44.77
    cyclopentyl methyl ether 68.37
    gamma-butyrolactone 179.41
    1-methoxy-2-propanol 90.48
    pyridine 194.45
    3-pentanone 56.6
    furfural 197.39
    n-dodecane 1.07
    diethylene glycol 84.01
    diisopropyl ether 9.97
    tert-amyl alcohol 47.95
    acetylacetone 86.63
    n-hexadecane 1.26
    acetophenone 63.92
    methyl propionate 46.93
    isopentyl acetate 68.4
    trichloroethylene 374.32
    n-nonanol 23.19
    cyclohexanol 80.28
    benzyl alcohol 76.03
    2-ethylhexanol 34.45
    isooctanol 30.58
    dipropyl ether 19.8
    1,2-dichlorobenzene 96.75
    ethyl lactate 32.59
    propylene carbonate 110.15
    n-methylformamide 78.12
    2-pentanol 42.46
    n-pentane 1.55
    1-propoxy-2-propanol 71.4
    1-methoxy-2-propyl acetate 71.49
    2-(2-methoxypropoxy) propanol 56.75
    mesitylene 27.02
    ε-caprolactone 141.13
    p-cymene 20.86
    epichlorohydrin 223.14
    1,1,1-trichloroethane 125.82
    2-aminoethanol 53.08
    morpholine-4-carbaldehyde 132.92
    sulfolane 174.41
    2,2,4-trimethylpentane 2.17
    2-methyltetrahydrofuran 112.49
    n-hexyl acetate 47.67
    isooctane 1.58
    2-(2-butoxyethoxy)ethanol 80.1
    sec-butyl acetate 38.05
    tert-butyl acetate 47.12
    decalin 3.88
    glycerin 45.53
    diglyme 135.48
    acrylic acid 69.73
    isopropyl myristate 17.59
    n-butyric acid 133.03
    acetyl acetate 57.68
    di(2-ethylhexyl) phthalate 34.24
    ethyl propionate 36.97
    nitromethane 127.93
    1,2-diethoxyethane 61.38
    benzonitrile 87.99
    trioctyl phosphate 20.51
    1-bromopropane 75.05
    gamma-valerolactone 263.64
    n-decanol 16.98
    triethyl phosphate 26.77
    4-methyl-2-pentanol 29.3
    propionitrile 55.52
    vinylene carbonate 105.03
    1,1,2-trichlorotrifluoroethane 150.63
    DMS 41.2
    cumene 21.62
    2-octanol 20.1
    2-hexanone 58.48
    octyl acetate 25.45
    limonene 24.09
    1,2-dimethoxyethane 106.2
    ethyl orthosilicate 26.99
    tributyl phosphate 22.99
    diacetone alcohol 61.02
    N,N-dimethylaniline 34.47
    acrylonitrile 71.2
    aniline 101.3
    1,3-propanediol 96.26
    bromobenzene 117.57
    dibromomethane 213.15
    1,1,2,2-tetrachloroethane 270.7
    2-methyl-cyclohexyl acetate 45.26
    tetrabutyl urea 30.19
    diisobutyl methanol 18.56
    2-phenylethanol 77.17
    styrene 34.28
    dioctyl adipate 31.29
    dimethyl sulfate 38.66
    ethyl butyrate 44.04
    methyl lactate 35.6
    butyl lactate 45.73
    diethyl carbonate 30.06
    propanediol butyl ether 56.4
    triethyl orthoformate 35.4
    p-tert-butyltoluene 18.44
    methyl 4-tert-butylbenzoate 56.23
    morpholine 164.52
    tert-butylamine 27.46
    n-dodecanol 12.63
    dimethoxymethane 76.18
    ethylene carbonate 91.23
    cyrene 72.6
    2-ethoxyethyl acetate 68.24
    2-ethylhexyl acetate 52.27
    1,2,4-trichlorobenzene 109.42
    4-methylpyridine 146.35
    dibutyl ether 17.72
    2,6-dimethyl-4-heptanol 18.56
    DEF 65.98
    dimethyl isosorbide 95.79
    tetrachloroethylene 190.32
    eugenol 64.06
    triacetin 50.19
    span 80 53.25
    1,4-butanediol 47.69
    1,1-dichloroethane 159.4
    2-methyl-1-pentanol 65.34
    methyl formate 58.56
    2-methyl-1-butanol 76.4
    n-decane 1.78
    butyronitrile 73.42
    3,7-dimethyl-1-octanol 24.72
    1-chlorooctane 12.45
    1-chlorotetradecane 4.91
    n-nonane 1.42
    undecane 1.32
    tert-butylcyclohexane 3.06
    cyclooctane 1.7
    cyclopentanol 76.32
    tetrahydropyran 140.96
    tert-amyl methyl ether 27.64
    2,5,8-trioxanonane 86.55
    1-hexene 11.46
    2-isopropoxyethanol 65.19
    2,2,2-trifluoroethanol 53.07
    methyl butyrate 56.88

    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