Tert-butylbenzamido hydroxylbenzamide

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  • Identifiers

    CAS number
    847249-57-4

    Molecular formula
    C18H20N2O3

    SMILES
    CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO

    Safety labels

  • Odor profile

    Fragrance
    Fruity 44.9%
    Grape 36.47%
    Odorless 30.54%
    Citrus 28.62%
    Fatty 28.3%
    Savory 25.32%
    Floral 24.3%
    Grapefruit 24.07%
    Animal 23.19%
    Bitter 22.89%

     

    Flavor
    Bitter 54.29%
    Odorless 37.71%
    Mild 27.23%
    Fruity 24.72%
    Bland 21.43%
    Orange flower 20.34%
    Broom 19.44%
    Nitrile 19.35%
    Orange blossom 19.34%
    Heather 19.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.87 (neutral)

    Molecular weight
    312.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    788°C

    Flash point

    • 225.81 ˚C est.

  • Synonyms

    • 847249-57-4
    • Tert-butylbenzamido hydroxylbenzamide
    • Elatinate AE109
    • t-Butylbenzamido hydroxylbenzamide
    • UNII-8ZGC21O8KI
    • 8ZGC21O8KI
    • Benzamide, 4-((4-(1,1-dimethylethyl)benzoyl)amino)-N-hydroxy-
    • DTXSID90233744
    • RefChem:188227
    • DTXCID20156235
    • T-BUTYLBENZAMIDO HYDROXYLBENZAMIDE [INCI]
    • AES-350
    • 4-[[4-(1,1-dimethylethyl)benzoyl]amino]-N-hydroxy-benzamide
    • 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide
    • CHEMBL4452620
    • 4-(tert-butyl)-N-(4-(hydroxycarbamoyl)phenyl)benzamide
    • SCHEMBL675041
    • orb1298420
    • orb2646796
    • BDBM50519457
    • AKOS040759632
    • MS-24556
    • HY-138831
    • CS-0169287
    • G17818
    • Q27271236
    • 847249-57-4

  • Applications

    The compound Tert-butylbenzamido hydroxylbenzamide (CAS 847249-57-4) is primarily used as an intermediate in organic synthesis, providing a versatile building block for specialty chemicals. It is commonly evaluated as a precursor for pharmaceutical and agrochemical intermediates. In coatings, inks, and adhesives formulations, it can serve as a reactive additive or crosslinking agent. In polymer and plastics processing, it acts as a monomer precursor or modifier to tailor material properties. It may be explored in cosmetics/personal care formulations as a specialty intermediate for active ingredient synthesis or formulation components, subject to regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.92
    methanol 24.04
    isopropanol 8.04
    water 0.02
    ethyl acetate 10.9
    n-propanol 15.71
    acetone 22.47
    n-butanol 9.71
    acetonitrile 4.49
    DMF 119.66
    toluene 3.96
    isobutanol 6.01
    1,4-dioxane 13.29
    methyl acetate 15.97
    THF 95.7
    2-butanone 36.08
    n-pentanol 8.41
    sec-butanol 9.25
    n-hexane 0.1
    ethylene glycol 2.76
    NMP 77.05
    cyclohexane 0.06
    DMSO 64.97
    n-butyl acetate 7.97
    n-octanol 1.92
    chloroform 23.64
    n-propyl acetate 8.7
    acetic acid 18.9
    dichloromethane 19.2
    cyclohexanone 27.46
    propylene glycol 11.62
    isopropyl acetate 8.39
    DMAc 209.97
    2-ethoxyethanol 36.3
    isopentanol 7.07
    n-heptane 0.1
    ethyl formate 7.27
    1,2-dichloroethane 13.02
    n-hexanol 6.66
    2-methoxyethanol 58.39
    isobutyl acetate 4.98
    tetrachloromethane 0.94
    n-pentyl acetate 5.55
    transcutol 80.34
    n-heptanol 4.3
    ethylbenzene 1.77
    MIBK 11.75
    2-propoxyethanol 37.35
    tert-butanol 10.26
    MTBE 6.63
    2-butoxyethanol 18.71
    propionic acid 12.91
    o-xylene 2.33
    formic acid 14.08
    diethyl ether 4.8
    m-xylene 2.75
    p-xylene 2.42
    chlorobenzene 6.04
    dimethyl carbonate 13.21
    n-octane 0.06
    formamide 32.5
    cyclopentanone 64.77
    2-pentanone 20.16
    anisole 11.05
    cyclopentyl methyl ether 13.57
    gamma-butyrolactone 57.23
    1-methoxy-2-propanol 52.59
    pyridine 23.73
    3-pentanone 13.72
    furfural 38.58
    n-dodecane 0.04
    diethylene glycol 22.46
    diisopropyl ether 1.16
    tert-amyl alcohol 10.55
    acetylacetone 23.51
    n-hexadecane 0.05
    acetophenone 15.12
    methyl propionate 20.03
    isopentyl acetate 8.44
    trichloroethylene 44.23
    n-nonanol 2.2
    cyclohexanol 4.87
    benzyl alcohol 12.64
    2-ethylhexanol 3.18
    isooctanol 3.67
    dipropyl ether 3.44
    1,2-dichlorobenzene 5.82
    ethyl lactate 11.62
    propylene carbonate 18.81
    n-methylformamide 38.1
    2-pentanol 5.19
    n-pentane 0.07
    1-propoxy-2-propanol 23.23
    1-methoxy-2-propyl acetate 23.21
    2-(2-methoxypropoxy) propanol 20.82
    mesitylene 1.27
    ε-caprolactone 23.61
    p-cymene 1.47
    epichlorohydrin 78.85
    1,1,1-trichloroethane 6.44
    2-aminoethanol 11.71
    morpholine-4-carbaldehyde 60.51
    sulfolane 75.85
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 23.34
    n-hexyl acetate 5.93
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 23.84
    sec-butyl acetate 6.34
    tert-butyl acetate 12.23
    decalin 0.1
    glycerin 19.02
    diglyme 49.37
    acrylic acid 12.91
    isopropyl myristate 2.24
    n-butyric acid 14.8
    acetyl acetate 6.24
    di(2-ethylhexyl) phthalate 4.34
    ethyl propionate 8.51
    nitromethane 41.37
    1,2-diethoxyethane 11.56
    benzonitrile 6.73
    trioctyl phosphate 2.54
    1-bromopropane 3.96
    gamma-valerolactone 77.11
    n-decanol 1.48
    triethyl phosphate 5.09
    4-methyl-2-pentanol 3.8
    propionitrile 6.07
    vinylene carbonate 14.88
    1,1,2-trichlorotrifluoroethane 52.1
    DMS 10.28
    cumene 1.34
    2-octanol 2.02
    2-hexanone 12.94
    octyl acetate 3.17
    limonene 1.94
    1,2-dimethoxyethane 41.98
    ethyl orthosilicate 4.81
    tributyl phosphate 2.99
    diacetone alcohol 29.02
    N,N-dimethylaniline 8.39
    acrylonitrile 10.88
    aniline 10.51
    1,3-propanediol 15.82
    bromobenzene 4.5
    dibromomethane 8.05
    1,1,2,2-tetrachloroethane 33.86
    2-methyl-cyclohexyl acetate 7.78
    tetrabutyl urea 4.97
    diisobutyl methanol 2.16
    2-phenylethanol 11.88
    styrene 2.14
    dioctyl adipate 5.37
    dimethyl sulfate 29.42
    ethyl butyrate 6.93
    methyl lactate 22.07
    butyl lactate 9.83
    diethyl carbonate 4.67
    propanediol butyl ether 14.73
    triethyl orthoformate 6.29
    p-tert-butyltoluene 1.5
    methyl 4-tert-butylbenzoate 14.2
    morpholine 34.41
    tert-butylamine 3.07
    n-dodecanol 0.93
    dimethoxymethane 56.01
    ethylene carbonate 9.16
    cyrene 28.14
    2-ethoxyethyl acetate 14.2
    2-ethylhexyl acetate 5.65
    1,2,4-trichlorobenzene 9.6
    4-methylpyridine 21.25
    dibutyl ether 1.89
    2,6-dimethyl-4-heptanol 2.16
    DEF 27.12
    dimethyl isosorbide 38.0
    tetrachloroethylene 13.41
    eugenol 16.3
    triacetin 12.23
    span 80 12.76
    1,4-butanediol 6.12
    1,1-dichloroethane 9.57
    2-methyl-1-pentanol 6.73
    methyl formate 21.39
    2-methyl-1-butanol 6.96
    n-decane 0.09
    butyronitrile 5.27
    3,7-dimethyl-1-octanol 2.54
    1-chlorooctane 0.72
    1-chlorotetradecane 0.22
    n-nonane 0.07
    undecane 0.06
    tert-butylcyclohexane 0.15
    cyclooctane 0.03
    cyclopentanol 8.19
    tetrahydropyran 10.4
    tert-amyl methyl ether 6.89
    2,5,8-trioxanonane 31.6
    1-hexene 0.88
    2-isopropoxyethanol 21.84
    2,2,2-trifluoroethanol 7.11
    methyl butyrate 11.89

    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