tert-Butylbenzamido hydroxylphenylacetamide

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  • Identifiers

    CAS number
    847250-01-5

    Molecular formula
    C19H22N2O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 45.38%
    Grape 36.86%
    Citrus 30.26%
    Floral 28.96%
    Grapefruit 27.67%
    Fatty 27.42%
    Odorless 26.18%
    Savory 25.9%
    Animal 25.6%
    Dry 23.44%

     

    Flavor
    Odorless 36.4%
    Bitter 36.32%
    Fruity 33.72%
    Mild 32.37%
    Orange flower 20.34%
    Orange blossom 19.42%
    Bland 19.31%
    Heather 19.25%
    Broom 19.2%
    Ethyl benzoate 19.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.08 (weak base)

    Molecular weight
    326.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    759°C

    Flash point

    • 242.44 ˚C est.

  • Synonyms

    • Elatinate AE140
    • tert-Butylbenzamido hydroxylphenylacetamide
    • t-Butylbenzamido hydroxylphenylacetamide
    • UNII-1PD67623G7
    • 1PD67623G7
    • 847250-01-5
    • Benzeneacetamide, 4-((4-(1,1-dimethylethyl)benzoyl)amino)-N-hydroxy-
    • DTXSID50233745
    • RefChem:188228
    • DTXCID80156236
    • T-BUTYLBENZAMIDO HYDROXYLPHENYLACETAMIDE [INCI]
    • SCHEMBL4659050
    • Q27252716
    • 4-tert-Butyl-N-{4-[2-(hydroxyamino)-2-oxoethyl]phenyl}benzamide
    • 847250-01-5

  • Applications

    tert-Butylbenzamido hydroxylphenylacetamide (CAS 847250-01-5) is primarily encountered as a synthetic intermediate and building block in chemical manufacture. In pharmaceutical development, it is commonly evaluated as a precursor for further transformations toward active pharmaceutical ingredients. In cosmetics and personal care, it may be used as a specialty amide component in research formulations. In polymers, plastics, and coatings, it can function as an additive or reactive intermediate for advanced materials. In industrial manufacturing and laboratory settings, it serves as a route-synthesis building block and may be employed in process development and scale-up, subject to formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.75
    methanol 46.97
    isopropanol 13.93
    water 0.04
    ethyl acetate 12.78
    n-propanol 27.11
    acetone 50.7
    n-butanol 16.37
    acetonitrile 8.66
    DMF 195.15
    toluene 3.54
    isobutanol 10.0
    1,4-dioxane 18.25
    methyl acetate 20.5
    THF 146.79
    2-butanone 56.87
    n-pentanol 12.49
    sec-butanol 14.14
    n-hexane 0.12
    ethylene glycol 5.14
    NMP 93.44
    cyclohexane 0.07
    DMSO 159.41
    n-butyl acetate 9.03
    n-octanol 2.26
    chloroform 48.17
    n-propyl acetate 10.46
    acetic acid 31.33
    dichloromethane 37.91
    cyclohexanone 36.21
    propylene glycol 18.56
    isopropyl acetate 8.72
    DMAc 299.83
    2-ethoxyethanol 51.2
    isopentanol 10.43
    n-heptane 0.09
    ethyl formate 12.98
    1,2-dichloroethane 25.36
    n-hexanol 7.55
    2-methoxyethanol 84.81
    isobutyl acetate 5.39
    tetrachloromethane 1.8
    n-pentyl acetate 5.42
    transcutol 84.11
    n-heptanol 4.29
    ethylbenzene 2.01
    MIBK 13.37
    2-propoxyethanol 44.24
    tert-butanol 13.1
    MTBE 7.15
    2-butoxyethanol 20.16
    propionic acid 18.9
    o-xylene 2.29
    formic acid 22.51
    diethyl ether 6.62
    m-xylene 2.19
    p-xylene 2.66
    chlorobenzene 7.68
    dimethyl carbonate 15.5
    n-octane 0.05
    formamide 47.23
    cyclopentanone 94.77
    2-pentanone 27.93
    anisole 13.73
    cyclopentyl methyl ether 13.96
    gamma-butyrolactone 75.02
    1-methoxy-2-propanol 65.27
    pyridine 30.58
    3-pentanone 17.93
    furfural 53.09
    n-dodecane 0.04
    diethylene glycol 29.53
    diisopropyl ether 1.08
    tert-amyl alcohol 13.43
    acetylacetone 29.73
    n-hexadecane 0.05
    acetophenone 17.18
    methyl propionate 22.96
    isopentyl acetate 9.31
    trichloroethylene 73.17
    n-nonanol 2.47
    cyclohexanol 6.3
    benzyl alcohol 16.48
    2-ethylhexanol 3.4
    isooctanol 3.45
    dipropyl ether 3.57
    1,2-dichlorobenzene 7.33
    ethyl lactate 13.1
    propylene carbonate 24.47
    n-methylformamide 63.55
    2-pentanol 6.24
    n-pentane 0.09
    1-propoxy-2-propanol 24.72
    1-methoxy-2-propyl acetate 23.17
    2-(2-methoxypropoxy) propanol 21.8
    mesitylene 0.99
    ε-caprolactone 27.54
    p-cymene 1.39
    epichlorohydrin 112.95
    1,1,1-trichloroethane 11.8
    2-aminoethanol 20.09
    morpholine-4-carbaldehyde 71.16
    sulfolane 99.22
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 28.94
    n-hexyl acetate 6.3
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 26.18
    sec-butyl acetate 6.44
    tert-butyl acetate 11.61
    decalin 0.12
    glycerin 27.06
    diglyme 55.36
    acrylic acid 17.95
    isopropyl myristate 2.1
    n-butyric acid 21.23
    acetyl acetate 7.16
    di(2-ethylhexyl) phthalate 4.73
    ethyl propionate 9.58
    nitromethane 67.53
    1,2-diethoxyethane 11.16
    benzonitrile 8.83
    trioctyl phosphate 2.66
    1-bromopropane 6.98
    gamma-valerolactone 99.41
    n-decanol 1.62
    triethyl phosphate 5.55
    4-methyl-2-pentanol 4.07
    propionitrile 9.87
    vinylene carbonate 19.51
    1,1,2-trichlorotrifluoroethane 77.29
    DMS 10.82
    cumene 1.47
    2-octanol 1.91
    2-hexanone 17.56
    octyl acetate 3.23
    limonene 1.71
    1,2-dimethoxyethane 59.35
    ethyl orthosilicate 5.04
    tributyl phosphate 3.31
    diacetone alcohol 30.23
    N,N-dimethylaniline 8.95
    acrylonitrile 16.37
    aniline 12.04
    1,3-propanediol 25.65
    bromobenzene 5.63
    dibromomethane 16.29
    1,1,2,2-tetrachloroethane 56.6
    2-methyl-cyclohexyl acetate 8.54
    tetrabutyl urea 5.48
    diisobutyl methanol 1.99
    2-phenylethanol 13.25
    styrene 2.57
    dioctyl adipate 5.63
    dimethyl sulfate 36.57
    ethyl butyrate 7.47
    methyl lactate 25.56
    butyl lactate 10.26
    diethyl carbonate 5.44
    propanediol butyl ether 16.87
    triethyl orthoformate 6.26
    p-tert-butyltoluene 1.34
    methyl 4-tert-butylbenzoate 14.44
    morpholine 48.49
    tert-butylamine 3.59
    n-dodecanol 0.99
    dimethoxymethane 74.95
    ethylene carbonate 12.84
    cyrene 30.22
    2-ethoxyethyl acetate 13.23
    2-ethylhexyl acetate 6.09
    1,2,4-trichlorobenzene 12.06
    4-methylpyridine 27.99
    dibutyl ether 1.94
    2,6-dimethyl-4-heptanol 1.99
    DEF 32.81
    dimethyl isosorbide 40.13
    tetrachloroethylene 22.72
    eugenol 16.98
    triacetin 12.06
    span 80 12.94
    1,4-butanediol 9.83
    1,1-dichloroethane 18.24
    2-methyl-1-pentanol 9.39
    methyl formate 36.25
    2-methyl-1-butanol 10.81
    n-decane 0.08
    butyronitrile 8.43
    3,7-dimethyl-1-octanol 2.7
    1-chlorooctane 0.79
    1-chlorotetradecane 0.23
    n-nonane 0.07
    undecane 0.06
    tert-butylcyclohexane 0.14
    cyclooctane 0.03
    cyclopentanol 11.92
    tetrahydropyran 15.07
    tert-amyl methyl ether 7.44
    2,5,8-trioxanonane 34.07
    1-hexene 1.21
    2-isopropoxyethanol 26.31
    2,2,2-trifluoroethanol 11.21
    methyl butyrate 15.2

    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