Adamantanyl hydroxybenzamide

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  • Identifiers

    CAS number
    850334-50-8

    Molecular formula
    C17H21NO2

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.64%
    Animal 26.6%
    Cooling 26.25%
    Savory 24.91%
    Fruity 20.01%
    Meaty 19.14%
    Cooked 17.98%
    Spicy 17.49%
    Fishy 17.29%
    Bitter 17.18%

     

    Flavor
    Bitter 71.15%
    Odorless 24.91%
    Cedarleaf 21.01%
    Very strong 20.05%
    Alkaline 19.94%
    Nitrile 19.87%
    Sweet-like 19.82%
    Indole 19.72%
    Cereal 19.64%
    Moth ball 19.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.06 (weak base)

    Molecular weight
    271.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    520°C

    Flash point

    • 181.66 ˚C est.

  • Synonyms

    • Snowin AP-2
    • Adamantanyl hydroxybenzamide
    • 3-Hydroxy-N-(1-adamantyl)benzamide
    • UNII-520O970L95
    • Adamantanyl hydroxybenzamide [INCI]
    • Benzamide, 3-hydroxy-N-tricyclo(3.3.1.13,7)dec-1-yl-
    • 850334-50-8
    • 520O970L95
    • CHEMBL5395481
    • SCHEMBL3381777
    • SCHEMBL31490945
    • BDBM50616133
    • AKOS000213092
    • Q27260942
    • 850334-50-8

  • Applications

    Adamantanyl hydroxybenzamide (CAS 850334-50-8) is primarily used as an organic-synthesis intermediate and building block for derivative development. In practice, it serves as a starting material for the preparation of amide- or phenol-functionalized compounds in pharmaceutical and agrochemical research. It can be employed as a structural modifier or precursor for polymers and coatings, where the adamantyl moiety provides lipophilicity and steric bulk, and the hydroxybenzamide unit enables further derivatization or crosslinking. In laboratory settings, it is commonly used as a reference or model compound to study adamantane-containing chemistry and to explore functionalization strategies. Depending on formulation and regulatory constraints, it may be used as a processing aid or additive in materials science applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.22
    methanol 49.97
    isopropanol 33.41
    water 0.24
    ethyl acetate 67.29
    n-propanol 42.15
    acetone 102.39
    n-butanol 37.79
    acetonitrile 35.53
    DMF 179.38
    toluene 33.92
    isobutanol 27.07
    1,4-dioxane 121.11
    methyl acetate 67.7
    THF 349.08
    2-butanone 83.7
    n-pentanol 22.55
    sec-butanol 20.03
    n-hexane 1.18
    ethylene glycol 12.7
    NMP 70.66
    cyclohexane 2.46
    DMSO 148.33
    n-butyl acetate 52.77
    n-octanol 16.75
    chloroform 161.98
    n-propyl acetate 41.0
    acetic acid 60.64
    dichloromethane 74.44
    cyclohexanone 107.75
    propylene glycol 21.53
    isopropyl acetate 55.2
    DMAc 165.47
    2-ethoxyethanol 58.89
    isopentanol 33.75
    n-heptane 1.69
    ethyl formate 40.77
    1,2-dichloroethane 77.03
    n-hexanol 34.35
    2-methoxyethanol 113.1
    isobutyl acetate 33.44
    tetrachloromethane 9.47
    n-pentyl acetate 33.54
    transcutol 281.13
    n-heptanol 22.58
    ethylbenzene 13.69
    MIBK 52.48
    2-propoxyethanol 97.55
    tert-butanol 35.81
    MTBE 31.79
    2-butoxyethanol 62.26
    propionic acid 41.63
    o-xylene 18.49
    formic acid 32.06
    diethyl ether 39.84
    m-xylene 25.38
    p-xylene 17.78
    chlorobenzene 39.93
    dimethyl carbonate 50.55
    n-octane 1.15
    formamide 60.16
    cyclopentanone 175.46
    2-pentanone 76.19
    anisole 34.31
    cyclopentyl methyl ether 74.59
    gamma-butyrolactone 165.33
    1-methoxy-2-propanol 104.65
    pyridine 89.58
    3-pentanone 61.74
    furfural 119.54
    n-dodecane 1.05
    diethylene glycol 78.74
    diisopropyl ether 13.27
    tert-amyl alcohol 21.62
    acetylacetone 96.57
    n-hexadecane 1.26
    acetophenone 42.14
    methyl propionate 69.21
    isopentyl acetate 52.09
    trichloroethylene 172.26
    n-nonanol 17.71
    cyclohexanol 30.17
    benzyl alcohol 34.23
    2-ethylhexanol 20.28
    isooctanol 19.19
    dipropyl ether 23.2
    1,2-dichlorobenzene 37.4
    ethyl lactate 33.85
    propylene carbonate 81.65
    n-methylformamide 80.62
    2-pentanol 22.89
    n-pentane 1.45
    1-propoxy-2-propanol 68.66
    1-methoxy-2-propyl acetate 83.03
    2-(2-methoxypropoxy) propanol 59.42
    mesitylene 14.0
    ε-caprolactone 85.51
    p-cymene 12.15
    epichlorohydrin 182.87
    1,1,1-trichloroethane 48.7
    2-aminoethanol 31.69
    morpholine-4-carbaldehyde 122.79
    sulfolane 142.75
    2,2,4-trimethylpentane 1.35
    2-methyltetrahydrofuran 89.28
    n-hexyl acetate 40.31
    isooctane 1.39
    2-(2-butoxyethoxy)ethanol 91.67
    sec-butyl acetate 31.56
    tert-butyl acetate 54.34
    decalin 1.88
    glycerin 44.06
    diglyme 160.37
    acrylic acid 42.3
    isopropyl myristate 18.52
    n-butyric acid 68.79
    acetyl acetate 49.05
    di(2-ethylhexyl) phthalate 21.1
    ethyl propionate 38.49
    nitromethane 115.97
    1,2-diethoxyethane 66.82
    benzonitrile 41.01
    trioctyl phosphate 16.7
    1-bromopropane 28.37
    gamma-valerolactone 197.13
    n-decanol 13.77
    triethyl phosphate 21.77
    4-methyl-2-pentanol 20.66
    propionitrile 40.58
    vinylene carbonate 78.18
    1,1,2-trichlorotrifluoroethane 124.57
    DMS 52.04
    cumene 10.44
    2-octanol 13.79
    2-hexanone 39.43
    octyl acetate 23.24
    limonene 13.67
    1,2-dimethoxyethane 97.67
    ethyl orthosilicate 20.85
    tributyl phosphate 20.22
    diacetone alcohol 66.86
    N,N-dimethylaniline 22.88
    acrylonitrile 56.68
    aniline 48.93
    1,3-propanediol 51.51
    bromobenzene 36.15
    dibromomethane 47.11
    1,1,2,2-tetrachloroethane 153.33
    2-methyl-cyclohexyl acetate 30.63
    tetrabutyl urea 23.97
    diisobutyl methanol 15.04
    2-phenylethanol 41.35
    styrene 14.55
    dioctyl adipate 26.21
    dimethyl sulfate 71.34
    ethyl butyrate 35.62
    methyl lactate 53.75
    butyl lactate 41.09
    diethyl carbonate 25.73
    propanediol butyl ether 51.26
    triethyl orthoformate 30.07
    p-tert-butyltoluene 11.95
    methyl 4-tert-butylbenzoate 42.52
    morpholine 135.18
    tert-butylamine 17.53
    n-dodecanol 10.62
    dimethoxymethane 144.21
    ethylene carbonate 68.53
    cyrene 49.86
    2-ethoxyethyl acetate 60.34
    2-ethylhexyl acetate 37.25
    1,2,4-trichlorobenzene 45.12
    4-methylpyridine 68.92
    dibutyl ether 19.89
    2,6-dimethyl-4-heptanol 15.04
    DEF 62.75
    dimethyl isosorbide 97.14
    tetrachloroethylene 79.87
    eugenol 45.5
    triacetin 52.35
    span 80 46.17
    1,4-butanediol 16.67
    1,1-dichloroethane 60.61
    2-methyl-1-pentanol 20.93
    methyl formate 66.27
    2-methyl-1-butanol 25.83
    n-decane 1.79
    butyronitrile 38.47
    3,7-dimethyl-1-octanol 19.3
    1-chlorooctane 9.13
    1-chlorotetradecane 3.88
    n-nonane 1.44
    undecane 1.33
    tert-butylcyclohexane 1.76
    cyclooctane 1.25
    cyclopentanol 38.35
    tetrahydropyran 98.37
    tert-amyl methyl ether 24.95
    2,5,8-trioxanonane 97.79
    1-hexene 6.25
    2-isopropoxyethanol 43.68
    2,2,2-trifluoroethanol 34.23
    methyl butyrate 47.86

    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