Hydroxy-Gamma-Isosanshool

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  • Identifiers

    CAS number
    127514-62-9

    Molecular formula
    C18H27NO2

    SMILES
    C/C=C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 45.93%
    Spicy 40.06%
    Sweet 32.49%
    Herbal 32.31%
    Citrus 30.98%
    Meaty 30.84%
    Woody 28.37%
    Tropical 25.69%
    Oily 24.95%
    Fatty 24.73%

     

    Flavor
    Spicy 30.41%
    Herbal 25.73%
    Citrus 23.96%
    Oriental 23.79%
    Sweet 23.06%
    Balsam 22.38%
    Mouldy 21.65%
    Ocimene 21.38%
    Nitrile 21.05%
    Diterpene 21.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.9 (weak base)

    Molecular weight
    289.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 226.56 ˚C est.

  • Synonyms

    • 127514-62-9
    • (2E,4E,8E,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
    • Hydroxy-gamma-isosanshool
    • N-(2-Hydroxyisobutyl)-2,4,8,10,12-tetradecapentaenamide
    • Hydroxy-g-isosanshool
    • RefChem:147123
    • 2,4,8,10,12-Tetradecapentaenamide, N-(2-hydroxy-2-methylpropyl)-, (2E,4E,8E,10E,12E)-
    • CHEMBL3086845
    • C18H27NO2
    • Hydroxy-I(3)-isosanshool
    • Hydroxyl-?|A-?isosanshool
    • Hydroxyl-???-?isosanshool
    • Hydroxyl-?gamma-?isosanshool
    • orb1706173
    • SCHEMBL1030779
    • CHEBI:174066
    • DTXSID201314791
    • HY-N7014
    • BDBM50494420
    • LMFA08020186
    • AKOS040744259
    • DA-54167
    • CS-0101578
    • 127514-62-9

  • Applications

    Hydroxy-Gamma-Isosanshool (CAS 127514-62-9) is used as an odor-active compound with potential flavor implications derived from the sanshool family; in industry it is employed as an intermediate in the synthesis of related alkylamide derivatives; in perfumery/fragrance it contributes peppery, tingling notes to formulations; in flavor formulations it may provide pepper-like accents; in cosmetics/personal care and household products it can serve as a fragrance ingredient; and in research or development settings it is considered a specialty material for formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 125.04
    methanol 188.98
    isopropanol 66.86
    water 0.27
    ethyl acetate 40.19
    n-propanol 77.7
    acetone 73.75
    n-butanol 68.58
    acetonitrile 21.95
    DMF 161.13
    toluene 13.14
    isobutanol 47.34
    1,4-dioxane 72.58
    methyl acetate 44.52
    THF 201.32
    2-butanone 67.47
    n-pentanol 70.44
    sec-butanol 62.3
    n-hexane 3.81
    ethylene glycol 14.87
    NMP 98.94
    cyclohexane 3.65
    DMSO 214.17
    n-butyl acetate 49.0
    n-octanol 31.29
    chloroform 116.89
    n-propyl acetate 50.3
    acetic acid 81.97
    dichloromethane 81.34
    cyclohexanone 87.82
    propylene glycol 49.84
    isopropyl acetate 36.51
    DMAc 309.37
    2-ethoxyethanol 134.98
    isopentanol 61.71
    n-heptane 2.69
    ethyl formate 36.94
    1,2-dichloroethane 56.61
    n-hexanol 58.16
    2-methoxyethanol 154.93
    isobutyl acetate 47.37
    tetrachloromethane 10.19
    n-pentyl acetate 32.89
    transcutol 325.19
    n-heptanol 30.08
    ethylbenzene 15.27
    MIBK 50.93
    2-propoxyethanol 123.66
    tert-butanol 79.58
    MTBE 55.85
    2-butoxyethanol 81.25
    propionic acid 47.89
    o-xylene 13.08
    formic acid 37.69
    diethyl ether 32.82
    m-xylene 12.66
    p-xylene 19.62
    chlorobenzene 21.72
    dimethyl carbonate 21.58
    n-octane 1.63
    formamide 38.74
    cyclopentanone 93.18
    2-pentanone 52.57
    anisole 43.06
    cyclopentyl methyl ether 49.01
    gamma-butyrolactone 91.25
    1-methoxy-2-propanol 117.89
    pyridine 49.44
    3-pentanone 37.66
    furfural 85.6
    n-dodecane 1.72
    diethylene glycol 84.61
    diisopropyl ether 10.93
    tert-amyl alcohol 70.72
    acetylacetone 68.18
    n-hexadecane 1.86
    acetophenone 49.94
    methyl propionate 38.09
    isopentyl acetate 56.56
    trichloroethylene 105.19
    n-nonanol 29.78
    cyclohexanol 43.76
    benzyl alcohol 43.58
    2-ethylhexanol 35.78
    isooctanol 26.27
    dipropyl ether 30.08
    1,2-dichlorobenzene 23.02
    ethyl lactate 43.42
    propylene carbonate 61.98
    n-methylformamide 50.62
    2-pentanol 37.91
    n-pentane 2.1
    1-propoxy-2-propanol 85.3
    1-methoxy-2-propyl acetate 67.92
    2-(2-methoxypropoxy) propanol 88.16
    mesitylene 8.96
    ε-caprolactone 74.75
    p-cymene 12.37
    epichlorohydrin 109.93
    1,1,1-trichloroethane 38.99
    2-aminoethanol 50.98
    morpholine-4-carbaldehyde 122.45
    sulfolane 124.99
    2,2,4-trimethylpentane 3.42
    2-methyltetrahydrofuran 83.09
    n-hexyl acetate 51.21
    isooctane 2.07
    2-(2-butoxyethoxy)ethanol 116.78
    sec-butyl acetate 41.99
    tert-butyl acetate 51.12
    decalin 4.31
    glycerin 61.08
    diglyme 195.65
    acrylic acid 37.57
    isopropyl myristate 21.73
    n-butyric acid 70.35
    acetyl acetate 28.21
    di(2-ethylhexyl) phthalate 29.36
    ethyl propionate 37.41
    nitromethane 84.36
    1,2-diethoxyethane 74.67
    benzonitrile 33.18
    trioctyl phosphate 19.18
    1-bromopropane 28.98
    gamma-valerolactone 139.19
    n-decanol 21.38
    triethyl phosphate 28.93
    4-methyl-2-pentanol 31.05
    propionitrile 28.35
    vinylene carbonate 49.12
    1,1,2-trichlorotrifluoroethane 119.73
    DMS 35.05
    cumene 14.23
    2-octanol 18.1
    2-hexanone 61.42
    octyl acetate 27.81
    limonene 17.82
    1,2-dimethoxyethane 181.49
    ethyl orthosilicate 30.93
    tributyl phosphate 25.37
    diacetone alcohol 80.78
    N,N-dimethylaniline 39.38
    acrylonitrile 29.35
    aniline 26.13
    1,3-propanediol 70.4
    bromobenzene 18.65
    dibromomethane 51.02
    1,1,2,2-tetrachloroethane 110.23
    2-methyl-cyclohexyl acetate 49.41
    tetrabutyl urea 36.91
    diisobutyl methanol 20.33
    2-phenylethanol 42.18
    styrene 16.36
    dioctyl adipate 39.78
    dimethyl sulfate 43.37
    ethyl butyrate 42.94
    methyl lactate 44.07
    butyl lactate 47.25
    diethyl carbonate 30.77
    propanediol butyl ether 82.14
    triethyl orthoformate 40.79
    p-tert-butyltoluene 11.93
    methyl 4-tert-butylbenzoate 54.2
    morpholine 112.8
    tert-butylamine 37.99
    n-dodecanol 15.54
    dimethoxymethane 83.84
    ethylene carbonate 39.21
    cyrene 73.42
    2-ethoxyethyl acetate 52.62
    2-ethylhexyl acetate 43.23
    1,2,4-trichlorobenzene 32.84
    4-methylpyridine 48.42
    dibutyl ether 31.47
    2,6-dimethyl-4-heptanol 20.33
    DEF 67.23
    dimethyl isosorbide 122.48
    tetrachloroethylene 57.88
    eugenol 60.28
    triacetin 62.74
    span 80 69.96
    1,4-butanediol 38.48
    1,1-dichloroethane 44.3
    2-methyl-1-pentanol 67.92
    methyl formate 36.08
    2-methyl-1-butanol 54.05
    n-decane 3.11
    butyronitrile 38.46
    3,7-dimethyl-1-octanol 30.96
    1-chlorooctane 15.21
    1-chlorotetradecane 5.75
    n-nonane 2.74
    undecane 2.21
    tert-butylcyclohexane 4.52
    cyclooctane 1.3
    cyclopentanol 43.14
    tetrahydropyran 72.44
    tert-amyl methyl ether 47.14
    2,5,8-trioxanonane 135.59
    1-hexene 18.4
    2-isopropoxyethanol 92.77
    2,2,2-trifluoroethanol 22.83
    methyl butyrate 59.76

    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