Adamantanyl dihydrocaffeamide

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  • Identifiers

    CAS number
    125789-39-1

    Molecular formula
    C19H25NO3

    SMILES
    C1C2CC3CC1CC(C2)(C3)NC(=O)CCC4=CC(=C(C=C4)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.51%
    Savory 31.64%
    Cooling 30.38%
    Animal 25.37%
    Meaty 23.46%
    Spicy 19.21%
    Fishy 18.17%
    Burnt 17.43%
    Cooked 16.83%
    Smoky 15.99%

     

    Flavor
    Bitter 62.13%
    Odorless 32.3%
    Fruity 24.37%
    Bland 22.32%
    Sweet-like 21.6%
    Cedarleaf 21.09%
    Mild 20.26%
    Alkaline 19.92%
    Nitrile 19.54%
    Very strong 19.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.41 (weak base)

    Molecular weight
    315.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    538°C

    Flash point

    • 208.72 ˚C est.

  • Synonyms

    • Snowin AP-6
    • Adamantanyl dihydrocaffeamide
    • UNII-L64P51H27G
    • L64P51H27G
    • Adamantanyl dihydrocaffeamide [INCI]
    • Benzenepropanamide, 3,4-dihydroxy-N-tricyclo(3.3.1.13,7)dec-1-yl-
    • 125789-39-1
    • SCHEMBL9346993
    • Q27282757
    • 125789-39-1

  • Applications

    Adamantanyl dihydrocaffeamide (CAS 125789-39-1) is primarily encountered in specialty chemical applications related to fragrance and cosmetics, where it may serve as a fragrance ingredient and fixative to help extend scent longevity. It is also used as an organic synthesis intermediate for the development of aromatic amide derivatives. Beyond fragrance uses, the compound may be evaluated as a processing aid or additive in polymers and plastics to influence compatibility or performance, and could be considered for niche applications in coatings and inks as a functional additive. In industrial manufacturing, it may appear in specialty cleaning formulations as an odor-active component or scent modifier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.7
    methanol 56.37
    isopropanol 22.74
    water 0.16
    ethyl acetate 17.24
    n-propanol 23.31
    acetone 57.86
    n-butanol 20.46
    acetonitrile 12.04
    DMF 45.08
    toluene 7.99
    isobutanol 13.28
    1,4-dioxane 54.56
    methyl acetate 14.48
    THF 267.61
    2-butanone 29.65
    n-pentanol 13.68
    sec-butanol 8.22
    n-hexane 0.18
    ethylene glycol 6.19
    NMP 22.02
    cyclohexane 0.31
    DMSO 121.22
    n-butyl acetate 16.46
    n-octanol 11.87
    chloroform 23.46
    n-propyl acetate 13.79
    acetic acid 33.19
    dichloromethane 12.35
    cyclohexanone 48.46
    propylene glycol 11.86
    isopropyl acetate 17.68
    DMAc 65.69
    2-ethoxyethanol 45.38
    isopentanol 17.83
    n-heptane 0.53
    ethyl formate 16.64
    1,2-dichloroethane 11.39
    n-hexanol 17.22
    2-methoxyethanol 86.14
    isobutyl acetate 12.57
    tetrachloromethane 2.25
    n-pentyl acetate 17.38
    transcutol 111.77
    n-heptanol 15.56
    ethylbenzene 3.68
    MIBK 24.21
    2-propoxyethanol 64.56
    tert-butanol 22.33
    MTBE 9.37
    2-butoxyethanol 38.93
    propionic acid 13.28
    o-xylene 4.86
    formic acid 20.06
    diethyl ether 9.25
    m-xylene 7.61
    p-xylene 4.72
    chlorobenzene 8.79
    dimethyl carbonate 12.15
    n-octane 0.52
    formamide 33.83
    cyclopentanone 82.78
    2-pentanone 33.66
    anisole 11.2
    cyclopentyl methyl ether 25.89
    gamma-butyrolactone 65.92
    1-methoxy-2-propanol 69.63
    pyridine 27.5
    3-pentanone 15.7
    furfural 46.62
    n-dodecane 0.54
    diethylene glycol 56.17
    diisopropyl ether 3.59
    tert-amyl alcohol 10.22
    acetylacetone 47.32
    n-hexadecane 0.62
    acetophenone 16.8
    methyl propionate 15.81
    isopentyl acetate 19.21
    trichloroethylene 30.07
    n-nonanol 12.49
    cyclohexanol 12.45
    benzyl alcohol 17.33
    2-ethylhexanol 9.59
    isooctanol 13.29
    dipropyl ether 8.3
    1,2-dichlorobenzene 8.21
    ethyl lactate 15.12
    propylene carbonate 26.7
    n-methylformamide 30.59
    2-pentanol 9.61
    n-pentane 0.21
    1-propoxy-2-propanol 40.35
    1-methoxy-2-propyl acetate 34.54
    2-(2-methoxypropoxy) propanol 31.67
    mesitylene 4.25
    ε-caprolactone 31.88
    p-cymene 4.59
    epichlorohydrin 76.17
    1,1,1-trichloroethane 8.89
    2-aminoethanol 17.63
    morpholine-4-carbaldehyde 46.82
    sulfolane 64.32
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 35.31
    n-hexyl acetate 20.35
    isooctane 0.42
    2-(2-butoxyethoxy)ethanol 50.03
    sec-butyl acetate 10.18
    tert-butyl acetate 21.84
    decalin 0.45
    glycerin 26.92
    diglyme 78.21
    acrylic acid 13.21
    isopropyl myristate 9.12
    n-butyric acid 27.78
    acetyl acetate 14.16
    di(2-ethylhexyl) phthalate 11.8
    ethyl propionate 11.13
    nitromethane 51.4
    1,2-diethoxyethane 29.04
    benzonitrile 15.81
    trioctyl phosphate 9.62
    1-bromopropane 4.33
    gamma-valerolactone 94.91
    n-decanol 9.43
    triethyl phosphate 8.72
    4-methyl-2-pentanol 10.02
    propionitrile 11.32
    vinylene carbonate 23.25
    1,1,2-trichlorotrifluoroethane 44.7
    DMS 16.01
    cumene 3.14
    2-octanol 9.34
    2-hexanone 17.24
    octyl acetate 11.93
    limonene 5.14
    1,2-dimethoxyethane 55.17
    ethyl orthosilicate 8.85
    tributyl phosphate 9.79
    diacetone alcohol 36.39
    N,N-dimethylaniline 8.24
    acrylonitrile 16.39
    aniline 15.26
    1,3-propanediol 38.88
    bromobenzene 6.83
    dibromomethane 6.54
    1,1,2,2-tetrachloroethane 26.68
    2-methyl-cyclohexyl acetate 14.04
    tetrabutyl urea 13.89
    diisobutyl methanol 7.14
    2-phenylethanol 20.36
    styrene 3.54
    dioctyl adipate 13.29
    dimethyl sulfate 19.16
    ethyl butyrate 12.95
    methyl lactate 20.71
    butyl lactate 21.07
    diethyl carbonate 8.68
    propanediol butyl ether 31.8
    triethyl orthoformate 12.23
    p-tert-butyltoluene 4.5
    methyl 4-tert-butylbenzoate 24.14
    morpholine 62.38
    tert-butylamine 6.73
    n-dodecanol 6.61
    dimethoxymethane 70.69
    ethylene carbonate 21.35
    cyrene 30.33
    2-ethoxyethyl acetate 29.56
    2-ethylhexyl acetate 13.21
    1,2,4-trichlorobenzene 10.87
    4-methylpyridine 21.95
    dibutyl ether 9.16
    2,6-dimethyl-4-heptanol 7.14
    DEF 19.79
    dimethyl isosorbide 51.63
    tetrachloroethylene 15.24
    eugenol 26.0
    triacetin 24.91
    span 80 25.24
    1,4-butanediol 13.11
    1,1-dichloroethane 8.9
    2-methyl-1-pentanol 11.2
    methyl formate 26.4
    2-methyl-1-butanol 11.69
    n-decane 0.98
    butyronitrile 15.24
    3,7-dimethyl-1-octanol 11.34
    1-chlorooctane 4.43
    1-chlorotetradecane 1.81
    n-nonane 0.77
    undecane 0.7
    tert-butylcyclohexane 0.47
    cyclooctane 0.23
    cyclopentanol 15.88
    tetrahydropyran 31.03
    tert-amyl methyl ether 7.09
    2,5,8-trioxanonane 52.56
    1-hexene 1.25
    2-isopropoxyethanol 30.83
    2,2,2-trifluoroethanol 13.47
    methyl butyrate 16.07

    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