Adamantanyl trihydroxybenzamide

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  • Identifiers

    CAS number
    343346-17-8

    Molecular formula
    C17H21NO4

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.07%
    Savory 24.11%
    Cooling 24.07%
    Animal 17.92%
    Burnt 17.02%
    Spicy 16.07%
    Phenolic 15.38%
    Meaty 14.95%
    Smoky 14.43%
    Bitter 14.08%

     

    Flavor
    Bitter 80.51%
    Odorless 30.62%
    Bland 23.13%
    Sweet-like 21.53%
    Cedarleaf 20.84%
    Nitrile 19.33%
    Alkaline 19.28%
    Very strong 19.17%
    Cereal 18.99%
    Indole 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.75 (weak base)

    Molecular weight
    303.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    360°C

    Flash point

    • 206.22 ˚C est.

  • Synonyms

    • Adamantanyl trihydroxybenzamide
    • Snowin AP-1
    • TZH7RZE6PF
    • UNII-TZH7RZE6PF
    • Adamantanyl trihydroxybenzamide [INCI]
    • 343346-17-8
    • Benzamide, 3,4,5-trihydroxy-N-tricyclo(3.3.1.13,7)dec-1-yl-
    • Oprea1_468172
    • Q27290497
    • 343346-17-8

  • Applications

    Adamantanyl trihydroxybenzamide (CAS 343346-17-8) may serve as an intermediate in organic synthesis for specialty chemicals; as a functional modifier or building block in polymer and resin formulations; as an antioxidant/stabilizer in coatings, inks, and plastics; as a fragrance fixative or odorant precursor in perfumery and cosmetics; and as a specialty ingredient in cosmetic/personal care formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.94
    methanol 40.42
    isopropanol 23.07
    water 0.2
    ethyl acetate 33.51
    n-propanol 28.73
    acetone 27.87
    n-butanol 23.34
    acetonitrile 11.29
    DMF 61.2
    toluene 4.6
    isobutanol 14.38
    1,4-dioxane 25.05
    methyl acetate 26.45
    THF 211.51
    2-butanone 34.41
    n-pentanol 11.43
    sec-butanol 15.48
    n-hexane 0.27
    ethylene glycol 15.95
    NMP 43.11
    cyclohexane 0.4
    DMSO 140.36
    n-butyl acetate 20.99
    n-octanol 8.3
    chloroform 11.14
    n-propyl acetate 15.56
    acetic acid 60.12
    dichloromethane 5.2
    cyclohexanone 34.86
    propylene glycol 26.26
    isopropyl acetate 29.87
    DMAc 113.72
    2-ethoxyethanol 53.14
    isopentanol 19.77
    n-heptane 0.66
    ethyl formate 16.37
    1,2-dichloroethane 7.94
    n-hexanol 16.64
    2-methoxyethanol 132.88
    isobutyl acetate 8.75
    tetrachloromethane 1.92
    n-pentyl acetate 16.64
    transcutol 145.65
    n-heptanol 12.85
    ethylbenzene 2.33
    MIBK 26.61
    2-propoxyethanol 74.67
    tert-butanol 25.93
    MTBE 15.62
    2-butoxyethanol 43.73
    propionic acid 27.67
    o-xylene 3.76
    formic acid 47.65
    diethyl ether 13.07
    m-xylene 5.47
    p-xylene 2.79
    chlorobenzene 4.2
    dimethyl carbonate 25.18
    n-octane 0.46
    formamide 97.04
    cyclopentanone 86.4
    2-pentanone 35.67
    anisole 8.43
    cyclopentyl methyl ether 38.14
    gamma-butyrolactone 102.48
    1-methoxy-2-propanol 108.07
    pyridine 21.57
    3-pentanone 19.65
    furfural 50.22
    n-dodecane 0.33
    diethylene glycol 70.08
    diisopropyl ether 5.41
    tert-amyl alcohol 19.47
    acetylacetone 54.18
    n-hexadecane 0.38
    acetophenone 13.45
    methyl propionate 38.34
    isopentyl acetate 21.26
    trichloroethylene 21.76
    n-nonanol 8.89
    cyclohexanol 14.72
    benzyl alcohol 12.85
    2-ethylhexanol 8.7
    isooctanol 10.4
    dipropyl ether 9.35
    1,2-dichlorobenzene 4.88
    ethyl lactate 22.14
    propylene carbonate 34.77
    n-methylformamide 59.4
    2-pentanol 15.1
    n-pentane 0.4
    1-propoxy-2-propanol 49.56
    1-methoxy-2-propyl acetate 48.49
    2-(2-methoxypropoxy) propanol 38.72
    mesitylene 3.23
    ε-caprolactone 36.95
    p-cymene 3.64
    epichlorohydrin 82.9
    1,1,1-trichloroethane 7.55
    2-aminoethanol 36.73
    morpholine-4-carbaldehyde 64.56
    sulfolane 113.48
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 45.81
    n-hexyl acetate 17.53
    isooctane 0.48
    2-(2-butoxyethoxy)ethanol 57.77
    sec-butyl acetate 12.52
    tert-butyl acetate 35.32
    decalin 0.38
    glycerin 63.4
    diglyme 85.67
    acrylic acid 29.21
    isopropyl myristate 7.73
    n-butyric acid 45.98
    acetyl acetate 22.39
    di(2-ethylhexyl) phthalate 9.38
    ethyl propionate 16.65
    nitromethane 85.09
    1,2-diethoxyethane 23.55
    benzonitrile 8.89
    trioctyl phosphate 8.45
    1-bromopropane 3.95
    gamma-valerolactone 96.38
    n-decanol 6.75
    triethyl phosphate 10.02
    4-methyl-2-pentanol 12.54
    propionitrile 12.51
    vinylene carbonate 27.05
    1,1,2-trichlorotrifluoroethane 79.62
    DMS 22.21
    cumene 2.21
    2-octanol 7.54
    2-hexanone 12.55
    octyl acetate 10.76
    limonene 4.4
    1,2-dimethoxyethane 47.53
    ethyl orthosilicate 9.88
    tributyl phosphate 8.85
    diacetone alcohol 61.11
    N,N-dimethylaniline 7.25
    acrylonitrile 20.44
    aniline 13.08
    1,3-propanediol 60.31
    bromobenzene 3.02
    dibromomethane 3.25
    1,1,2,2-tetrachloroethane 22.47
    2-methyl-cyclohexyl acetate 12.02
    tetrabutyl urea 12.02
    diisobutyl methanol 7.37
    2-phenylethanol 18.41
    styrene 2.11
    dioctyl adipate 11.42
    dimethyl sulfate 46.92
    ethyl butyrate 15.24
    methyl lactate 48.2
    butyl lactate 23.34
    diethyl carbonate 10.23
    propanediol butyl ether 33.73
    triethyl orthoformate 13.51
    p-tert-butyltoluene 3.93
    methyl 4-tert-butylbenzoate 24.3
    morpholine 50.79
    tert-butylamine 9.03
    n-dodecanol 4.8
    dimethoxymethane 84.59
    ethylene carbonate 23.83
    cyrene 32.38
    2-ethoxyethyl acetate 31.67
    2-ethylhexyl acetate 13.45
    1,2,4-trichlorobenzene 7.7
    4-methylpyridine 15.53
    dibutyl ether 6.48
    2,6-dimethyl-4-heptanol 7.37
    DEF 33.29
    dimethyl isosorbide 59.36
    tetrachloroethylene 14.0
    eugenol 25.84
    triacetin 26.98
    span 80 28.53
    1,4-butanediol 14.12
    1,1-dichloroethane 5.95
    2-methyl-1-pentanol 9.85
    methyl formate 34.81
    2-methyl-1-butanol 15.1
    n-decane 0.61
    butyronitrile 11.27
    3,7-dimethyl-1-octanol 9.28
    1-chlorooctane 2.71
    1-chlorotetradecane 1.11
    n-nonane 0.51
    undecane 0.43
    tert-butylcyclohexane 0.44
    cyclooctane 0.28
    cyclopentanol 24.58
    tetrahydropyran 23.2
    tert-amyl methyl ether 13.87
    2,5,8-trioxanonane 59.13
    1-hexene 1.33
    2-isopropoxyethanol 32.89
    2,2,2-trifluoroethanol 26.41
    methyl butyrate 19.87

    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