Adamantanylcarboxamido methylhydroxylbenzamide

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  • Identifiers

    CAS number
    847249-63-2

    Molecular formula
    C19H24N2O3

    SMILES
    CN(C(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.45%
    Cooling 31.2%
    Savory 30.53%
    Animal 21.38%
    Cooked 20.74%
    Meaty 20.69%
    Bitter 19.46%
    Roasted 18.96%
    Mint 18.8%
    Milky 18.5%

     

    Flavor
    Bitter 73.48%
    Odorless 37.18%
    Bland 23.56%
    Sweet-like 21.2%
    Cedarleaf 19.37%
    Nitrile 19.35%
    Orange flower 18.85%
    Very strong 18.77%
    Orange blossom 18.74%
    Indole 18.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.58 (weak base)

    Molecular weight
    328.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    664°C

    Flash point

    • 221.72 ˚C est.

  • Synonyms

    • Eclatnoid AP153
    • Adamantanylcarboxamido methylhydroxylbenzamide
    • UNII-9R3048OM6V
    • 9R3048OM6V
    • Adamantanylcarboxamido methylhydroxylbenzamide [INCI]
    • Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(4-((hydroxymethylamino)carbonyl)phenyl)-
    • 847249-63-2
    • Q27272926
    • 847249-63-2

  • Applications

    Chemical name: Adamantanylcarboxamido methylhydroxylbenzamide; CAS number: 847249-63-2. Potential applications include: use as a synthetic intermediate in organic synthesis for specialty chemicals; function as a fragrance fixative or odorant in perfumery owing to the bulky adamantyl moiety; serve as a processing aid or stabilizer in polymers and coatings; act as an additive in coatings or inks to tailor surface properties; be evaluated for cosmetic/personal care formulations as a fragrance component or functional additive; and serve as a building block in pharmaceutical or agrochemical research contexts, subject to applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.85
    methanol 13.88
    isopropanol 7.68
    water 0.03
    ethyl acetate 7.75
    n-propanol 8.59
    acetone 16.77
    n-butanol 8.48
    acetonitrile 5.62
    DMF 26.2
    toluene 8.7
    isobutanol 5.32
    1,4-dioxane 26.27
    methyl acetate 7.83
    THF 72.92
    2-butanone 16.25
    n-pentanol 6.08
    sec-butanol 3.67
    n-hexane 0.09
    ethylene glycol 2.04
    NMP 12.19
    cyclohexane 0.2
    DMSO 18.11
    n-butyl acetate 8.11
    n-octanol 4.38
    chloroform 26.78
    n-propyl acetate 7.16
    acetic acid 12.74
    dichloromethane 14.78
    cyclohexanone 27.43
    propylene glycol 3.48
    isopropyl acetate 8.21
    DMAc 37.56
    2-ethoxyethanol 20.83
    isopentanol 8.45
    n-heptane 0.17
    ethyl formate 8.97
    1,2-dichloroethane 9.85
    n-hexanol 7.76
    2-methoxyethanol 32.22
    isobutyl acetate 6.78
    tetrachloromethane 1.59
    n-pentyl acetate 9.44
    transcutol 47.49
    n-heptanol 7.29
    ethylbenzene 3.19
    MIBK 12.75
    2-propoxyethanol 30.87
    tert-butanol 7.83
    MTBE 3.78
    2-butoxyethanol 21.59
    propionic acid 6.12
    o-xylene 4.63
    formic acid 8.21
    diethyl ether 4.23
    m-xylene 6.32
    p-xylene 4.21
    chlorobenzene 8.97
    dimethyl carbonate 7.52
    n-octane 0.18
    formamide 12.47
    cyclopentanone 32.67
    2-pentanone 14.7
    anisole 7.56
    cyclopentyl methyl ether 9.94
    gamma-butyrolactone 26.46
    1-methoxy-2-propanol 27.36
    pyridine 23.07
    3-pentanone 9.15
    furfural 31.42
    n-dodecane 0.2
    diethylene glycol 23.87
    diisopropyl ether 1.46
    tert-amyl alcohol 4.19
    acetylacetone 20.42
    n-hexadecane 0.24
    acetophenone 12.47
    methyl propionate 8.33
    isopentyl acetate 10.48
    trichloroethylene 28.99
    n-nonanol 5.23
    cyclohexanol 6.4
    benzyl alcohol 12.12
    2-ethylhexanol 4.44
    isooctanol 6.25
    dipropyl ether 3.54
    1,2-dichlorobenzene 8.01
    ethyl lactate 8.82
    propylene carbonate 13.14
    n-methylformamide 14.19
    2-pentanol 4.13
    n-pentane 0.1
    1-propoxy-2-propanol 19.63
    1-methoxy-2-propyl acetate 17.91
    2-(2-methoxypropoxy) propanol 17.1
    mesitylene 3.1
    ε-caprolactone 17.6
    p-cymene 3.14
    epichlorohydrin 37.11
    1,1,1-trichloroethane 6.62
    2-aminoethanol 5.8
    morpholine-4-carbaldehyde 28.15
    sulfolane 23.68
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 12.07
    n-hexyl acetate 9.68
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 24.19
    sec-butyl acetate 5.77
    tert-butyl acetate 9.03
    decalin 0.27
    glycerin 8.94
    diglyme 38.42
    acrylic acid 6.9
    isopropyl myristate 4.53
    n-butyric acid 12.97
    acetyl acetate 6.88
    di(2-ethylhexyl) phthalate 6.97
    ethyl propionate 6.03
    nitromethane 18.04
    1,2-diethoxyethane 14.25
    benzonitrile 13.35
    trioctyl phosphate 4.92
    1-bromopropane 3.43
    gamma-valerolactone 52.54
    n-decanol 3.81
    triethyl phosphate 5.17
    4-methyl-2-pentanol 4.81
    propionitrile 7.38
    vinylene carbonate 15.19
    1,1,2-trichlorotrifluoroethane 26.74
    DMS 10.11
    cumene 2.52
    2-octanol 3.95
    2-hexanone 9.91
    octyl acetate 5.66
    limonene 3.07
    1,2-dimethoxyethane 27.51
    ethyl orthosilicate 5.15
    tributyl phosphate 5.07
    diacetone alcohol 17.58
    N,N-dimethylaniline 5.96
    acrylonitrile 10.77
    aniline 12.2
    1,3-propanediol 13.99
    bromobenzene 7.4
    dibromomethane 7.47
    1,1,2,2-tetrachloroethane 22.35
    2-methyl-cyclohexyl acetate 8.28
    tetrabutyl urea 7.47
    diisobutyl methanol 3.45
    2-phenylethanol 15.21
    styrene 3.43
    dioctyl adipate 7.14
    dimethyl sulfate 10.07
    ethyl butyrate 6.39
    methyl lactate 10.78
    butyl lactate 12.52
    diethyl carbonate 4.56
    propanediol butyl ether 15.27
    triethyl orthoformate 6.54
    p-tert-butyltoluene 2.9
    methyl 4-tert-butylbenzoate 14.97
    morpholine 27.72
    tert-butylamine 2.91
    n-dodecanol 2.67
    dimethoxymethane 30.29
    ethylene carbonate 12.37
    cyrene 18.68
    2-ethoxyethyl acetate 17.52
    2-ethylhexyl acetate 7.09
    1,2,4-trichlorobenzene 10.39
    4-methylpyridine 20.42
    dibutyl ether 3.95
    2,6-dimethyl-4-heptanol 3.45
    DEF 11.06
    dimethyl isosorbide 27.64
    tetrachloroethylene 13.85
    eugenol 17.35
    triacetin 12.83
    span 80 13.16
    1,4-butanediol 5.32
    1,1-dichloroethane 7.56
    2-methyl-1-pentanol 5.76
    methyl formate 12.4
    2-methyl-1-butanol 5.59
    n-decane 0.35
    butyronitrile 8.84
    3,7-dimethyl-1-octanol 5.01
    1-chlorooctane 2.04
    1-chlorotetradecane 0.85
    n-nonane 0.26
    undecane 0.26
    tert-butylcyclohexane 0.26
    cyclooctane 0.11
    cyclopentanol 6.74
    tetrahydropyran 13.64
    tert-amyl methyl ether 3.27
    2,5,8-trioxanonane 25.64
    1-hexene 0.75
    2-isopropoxyethanol 14.53
    2,2,2-trifluoroethanol 5.98
    methyl butyrate 8.98

    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