Ethyl 2-(acetylamino)benzoate

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  • Identifiers

    CAS number
    20628-20-0

    Molecular formula
    C11H13NO3

    SMILES
    CCOC(=O)C1=CC=CC=C1NC(=O)C

  • Odor profile

    Fragrance
    Fruity 86.54%
    Grape 74.97%
    Floral 65.66%
    Citrus 40.6%
    Berry 38.64%
    Orange 31.53%
    Neroli 31.35%
    Sweet 30.71%
    Winey 29.98%
    Tropical 26.98%

     

    Flavor
    Fruity 82.97%
    Grape 53.24%
    Sweet 40.74%
    Powdery 35.99%
    Floral 33.85%
    Mild 31.92%
    Strawberry 31.75%
    Berry 28.66%
    Odorless 28.22%
    Wine 25.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.89 (neutral)

    Molecular weight
    207.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 155.38 ˚C est.

  • Synonyms

    • ethyl 2-acetamidobenzoate
    • Ethyl 2-(acetylamino)benzoate
    • 20628-20-0
    • Benzoic acid, 2-(acetylamino)-, ethyl ester
    • Ethyl o-acetamidobenzoate
    • 2-(Acetylamino)benzoic acid ethyl ester
    • SCHEMBL7312805
    • DTXSID00299311
    • Ethyl 2-(acetylamino)benzoate #
    • SLTZBYZAXKJISI-UHFFFAOYSA-N
    • NSC129393
    • STK980462
    • 2-acetylamino benzoic acid ethyl ester
    • AKOS000536237
    • NSC-129393
    • CS-0361432

  • Applications

    Ethyl 2-(acetylamino)benzoate (CAS 20628-20-0) is commonly used as a fragrance-related building block in industrial formulations, functioning as an odorant with potential for a fixative or specialty-note profile and serving as a precursor to other anthranilate-derived fragrance ingredients. In flavor and aroma chemistry it may be evaluated as an aroma precursor for grape- or floral-like notes, depending on formulation. In cosmetics and personal care, it may be incorporated as a fragrance component in formulations, subject to local regulations and formulation limits. In industrial manufacturing, it serves as a chemical building block for the synthesis of additional anthranilate-derived intermediates, including precursors for pharmaceuticals and dyes. In laboratories and analytical work, it can be used as a building block or reference standard for methods involving anthranilate esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 118.31
    methanol 217.04
    isopropanol 73.06
    water 0.89
    ethyl acetate 75.72
    n-propanol 78.94
    acetone 228.5
    n-butanol 68.42
    acetonitrile 73.78
    DMF 821.73
    toluene 13.87
    isobutanol 55.98
    1,4-dioxane 155.58
    methyl acetate 92.24
    THF 331.74
    2-butanone 100.63
    n-pentanol 51.33
    sec-butanol 57.02
    n-hexane 1.26
    ethylene glycol 68.46
    NMP 630.93
    cyclohexane 1.47
    DMSO 700.18
    n-butyl acetate 47.16
    n-octanol 27.22
    chloroform 148.48
    n-propyl acetate 44.7
    acetic acid 272.13
    dichloromethane 162.11
    cyclohexanone 185.22
    propylene glycol 88.0
    isopropyl acetate 47.42
    DMAc 646.68
    2-ethoxyethanol 100.93
    isopentanol 54.47
    n-heptane 0.81
    ethyl formate 70.82
    1,2-dichloroethane 99.83
    n-hexanol 39.78
    2-methoxyethanol 235.42
    isobutyl acetate 33.19
    tetrachloromethane 7.34
    n-pentyl acetate 32.19
    transcutol 191.15
    n-heptanol 19.73
    ethylbenzene 14.5
    MIBK 52.34
    2-propoxyethanol 107.37
    tert-butanol 88.37
    MTBE 39.38
    2-butoxyethanol 50.57
    propionic acid 123.89
    o-xylene 16.69
    formic acid 122.99
    diethyl ether 36.34
    m-xylene 15.77
    p-xylene 20.82
    chlorobenzene 48.06
    dimethyl carbonate 78.65
    n-octane 0.64
    formamide 157.42
    cyclopentanone 298.07
    2-pentanone 81.26
    anisole 57.22
    cyclopentyl methyl ether 84.31
    gamma-butyrolactone 341.86
    1-methoxy-2-propanol 152.02
    pyridine 100.51
    3-pentanone 57.09
    furfural 275.09
    n-dodecane 1.27
    diethylene glycol 127.55
    diisopropyl ether 9.04
    tert-amyl alcohol 65.57
    acetylacetone 134.85
    n-hexadecane 1.48
    acetophenone 73.7
    methyl propionate 94.79
    isopentyl acetate 45.45
    trichloroethylene 223.57
    n-nonanol 24.96
    cyclohexanol 61.4
    benzyl alcohol 65.89
    2-ethylhexanol 24.87
    isooctanol 17.79
    dipropyl ether 19.03
    1,2-dichlorobenzene 51.24
    ethyl lactate 51.18
    propylene carbonate 161.79
    n-methylformamide 205.42
    2-pentanol 34.47
    n-pentane 0.79
    1-propoxy-2-propanol 66.41
    1-methoxy-2-propyl acetate 73.27
    2-(2-methoxypropoxy) propanol 77.09
    mesitylene 11.67
    ε-caprolactone 148.19
    p-cymene 12.53
    epichlorohydrin 273.06
    1,1,1-trichloroethane 54.11
    2-aminoethanol 97.86
    morpholine-4-carbaldehyde 331.64
    sulfolane 472.94
    2,2,4-trimethylpentane 1.58
    2-methyltetrahydrofuran 136.19
    n-hexyl acetate 56.29
    isooctane 1.08
    2-(2-butoxyethoxy)ethanol 86.14
    sec-butyl acetate 31.79
    tert-butyl acetate 54.23
    decalin 3.0
    glycerin 144.66
    diglyme 145.36
    acrylic acid 142.92
    isopropyl myristate 22.61
    n-butyric acid 111.22
    acetyl acetate 67.23
    di(2-ethylhexyl) phthalate 37.25
    ethyl propionate 48.99
    nitromethane 361.27
    1,2-diethoxyethane 45.4
    benzonitrile 71.82
    trioctyl phosphate 24.27
    1-bromopropane 30.56
    gamma-valerolactone 323.69
    n-decanol 19.34
    triethyl phosphate 32.21
    4-methyl-2-pentanol 22.65
    propionitrile 56.31
    vinylene carbonate 145.69
    1,1,2-trichlorotrifluoroethane 207.16
    DMS 70.76
    cumene 13.9
    2-octanol 15.18
    2-hexanone 53.17
    octyl acetate 32.47
    limonene 17.35
    1,2-dimethoxyethane 157.95
    ethyl orthosilicate 27.69
    tributyl phosphate 30.77
    diacetone alcohol 90.26
    N,N-dimethylaniline 46.8
    acrylonitrile 96.04
    aniline 51.13
    1,3-propanediol 115.64
    bromobenzene 39.73
    dibromomethane 80.0
    1,1,2,2-tetrachloroethane 162.49
    2-methyl-cyclohexyl acetate 44.02
    tetrabutyl urea 46.29
    diisobutyl methanol 14.9
    2-phenylethanol 51.51
    styrene 18.02
    dioctyl adipate 41.52
    dimethyl sulfate 180.71
    ethyl butyrate 38.97
    methyl lactate 96.98
    butyl lactate 41.9
    diethyl carbonate 35.06
    propanediol butyl ether 69.09
    triethyl orthoformate 32.41
    p-tert-butyltoluene 11.72
    methyl 4-tert-butylbenzoate 66.18
    morpholine 183.88
    tert-butylamine 33.16
    n-dodecanol 15.28
    dimethoxymethane 205.26
    ethylene carbonate 105.11
    cyrene 110.65
    2-ethoxyethyl acetate 51.52
    2-ethylhexyl acetate 34.11
    1,2,4-trichlorobenzene 71.33
    4-methylpyridine 114.65
    dibutyl ether 21.86
    2,6-dimethyl-4-heptanol 14.9
    DEF 136.31
    dimethyl isosorbide 122.79
    tetrachloroethylene 76.22
    eugenol 71.08
    triacetin 71.41
    span 80 62.71
    1,4-butanediol 51.46
    1,1-dichloroethane 71.53
    2-methyl-1-pentanol 48.62
    methyl formate 170.96
    2-methyl-1-butanol 55.09
    n-decane 1.77
    butyronitrile 59.8
    3,7-dimethyl-1-octanol 25.7
    1-chlorooctane 12.3
    1-chlorotetradecane 6.1
    n-nonane 1.44
    undecane 1.47
    tert-butylcyclohexane 2.91
    cyclooctane 0.54
    cyclopentanol 92.8
    tetrahydropyran 93.07
    tert-amyl methyl ether 37.33
    2,5,8-trioxanonane 113.05
    1-hexene 8.93
    2-isopropoxyethanol 63.41
    2,2,2-trifluoroethanol 86.07
    methyl butyrate 67.68

    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