2-(4-Ethylbenzoyl)benzoic acid

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  • Identifiers

    CAS number
    1151-14-0

    Molecular formula
    C16H14O3

    SMILES
    CCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Balsamic 55.31%
    Floral 42.35%
    Phenolic 41.37%
    Herbal 40.5%
    Sweet 34.76%
    Honey 32.37%
    Aromatic 31.95%
    Odorless 31.74%
    Spicy 29.63%
    Powdery 29.06%

     

    Flavor
    Bitter 46.55%
    Balsam 41.1%
    Odorless 29.73%
    Faint 29.3%
    Honey 29.0%
    Phenolic 26.2%
    Balsamic 25.0%
    Mild 24.46%
    Powdery 23.81%
    Wintergreen 23.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.39 (neutral)

    Molecular weight
    254.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    397°C

    Flash point

    • 202.7 ˚C est.

  • Synonyms

    • 2-(4-Ethylbenzoyl)benzoic acid
    • 1151-14-0
    • EINECS 214-566-3
    • DTXSID50150963
    • RefChem:84396
    • DTXCID5073454
    • 214-566-3
    • Benzoic acid, 2-(4-ethylbenzoyl)-
    • 2-[(4-ethylphenyl)carbonyl]benzoic acid
    • MFCD00020288
    • 2-(4-ETHYLBENZOYL)BENZOICACID
    • Cambridge id 5212002
    • Oprea1_166141
    • SCHEMBL5314074
    • ortho-(4-ethylbenzoyl)benzoic acid
    • SBB076367
    • STK367598
    • AKOS004908138
    • FE37556
    • NCGC00341725-01
    • ST095932
    • DB-060697
    • CS-0321287
    • NS00023728
    • H41194
    • AB00075336-01
    • AB00075336-03
    • 151E140
    • SR-01000198655
    • SR-01000198655-1
    • 1151-14-0

  • Applications

    2-(4-Ethylbenzoyl)benzoic acid is an aromatic carboxylic acid ketone derivative that is primarily used as an intermediate in organic synthesis. In industrial practice, it is commonly employed as a building block for the manufacture of pharmaceutical and agrochemical compounds, enabling downstream transformations to more complex molecules. It is also used as a precursor in the synthesis of specialty chemicals for polymers, coatings, and inks, where its diaryl ketone/benzoic acid functionality supports functionalization and coupling. Additionally, the compound may be evaluated as a fragrance or odorant intermediate for perfumery, or as a starting material in dye/pigment-related syntheses, depending on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.25
    methanol 705.35
    isopropanol 38.07
    water 0.03
    ethyl acetate 89.36
    n-propanol 413.01
    acetone 20.29
    n-butanol 143.98
    acetonitrile 29.22
    DMF 2374.06
    toluene 168.26
    isobutanol 87.05
    1,4-dioxane 30.55
    methyl acetate 117.38
    THF 49.63
    2-butanone 206.51
    n-pentanol 63.3
    sec-butanol 118.24
    n-hexane 0.44
    ethylene glycol 24.87
    NMP 721.05
    cyclohexane 0.43
    DMSO 280.67
    n-butyl acetate 70.92
    n-octanol 7.66
    chloroform 172.37
    n-propyl acetate 53.02
    acetic acid 41.89
    dichloromethane 232.5
    cyclohexanone 156.33
    propylene glycol 38.08
    isopropyl acetate 63.24
    DMAc 1461.7
    2-ethoxyethanol 140.42
    isopentanol 79.02
    n-heptane 0.28
    ethyl formate 15.68
    1,2-dichloroethane 277.53
    n-hexanol 47.93
    2-methoxyethanol 382.68
    isobutyl acetate 30.56
    tetrachloromethane 6.62
    n-pentyl acetate 32.52
    transcutol 354.26
    n-heptanol 18.64
    ethylbenzene 49.24
    MIBK 67.78
    2-propoxyethanol 149.08
    tert-butanol 45.09
    MTBE 67.33
    2-butoxyethanol 65.46
    propionic acid 80.07
    o-xylene 72.8
    formic acid 35.78
    diethyl ether 79.03
    m-xylene 59.57
    p-xylene 35.89
    chlorobenzene 83.55
    dimethyl carbonate 96.83
    n-octane 0.2
    formamide 199.44
    cyclopentanone 164.15
    2-pentanone 102.95
    anisole 123.94
    cyclopentyl methyl ether 78.39
    gamma-butyrolactone 156.17
    1-methoxy-2-propanol 224.52
    pyridine 271.24
    3-pentanone 149.46
    furfural 146.94
    n-dodecane 0.27
    diethylene glycol 94.73
    diisopropyl ether 14.1
    tert-amyl alcohol 106.43
    acetylacetone 84.07
    n-hexadecane 0.33
    acetophenone 115.05
    methyl propionate 257.53
    isopentyl acetate 75.28
    trichloroethylene 493.19
    n-nonanol 9.1
    cyclohexanol 52.96
    benzyl alcohol 111.3
    2-ethylhexanol 24.2
    isooctanol 16.61
    dipropyl ether 21.81
    1,2-dichlorobenzene 79.03
    ethyl lactate 35.16
    propylene carbonate 57.08
    n-methylformamide 483.64
    2-pentanol 52.41
    n-pentane 0.37
    1-propoxy-2-propanol 83.53
    1-methoxy-2-propyl acetate 113.82
    2-(2-methoxypropoxy) propanol 70.52
    mesitylene 20.64
    ε-caprolactone 139.35
    p-cymene 14.23
    epichlorohydrin 322.3
    1,1,1-trichloroethane 71.25
    2-aminoethanol 145.68
    morpholine-4-carbaldehyde 318.85
    sulfolane 297.99
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 74.95
    n-hexyl acetate 35.6
    isooctane 0.79
    2-(2-butoxyethoxy)ethanol 91.73
    sec-butyl acetate 52.37
    tert-butyl acetate 89.59
    decalin 1.63
    glycerin 56.54
    diglyme 199.82
    acrylic acid 68.44
    isopropyl myristate 14.04
    n-butyric acid 78.99
    acetyl acetate 31.64
    di(2-ethylhexyl) phthalate 19.55
    ethyl propionate 63.93
    nitromethane 127.4
    1,2-diethoxyethane 85.66
    benzonitrile 63.81
    trioctyl phosphate 10.85
    1-bromopropane 103.28
    gamma-valerolactone 243.92
    n-decanol 6.99
    triethyl phosphate 26.03
    4-methyl-2-pentanol 26.81
    propionitrile 93.11
    vinylene carbonate 60.17
    1,1,2-trichlorotrifluoroethane 200.76
    DMS 68.0
    cumene 19.51
    2-octanol 9.3
    2-hexanone 67.88
    octyl acetate 17.7
    limonene 19.41
    1,2-dimethoxyethane 151.25
    ethyl orthosilicate 25.4
    tributyl phosphate 14.94
    diacetone alcohol 129.69
    N,N-dimethylaniline 75.64
    acrylonitrile 165.11
    aniline 209.17
    1,3-propanediol 128.34
    bromobenzene 84.63
    dibromomethane 112.06
    1,1,2,2-tetrachloroethane 345.36
    2-methyl-cyclohexyl acetate 40.49
    tetrabutyl urea 24.83
    diisobutyl methanol 15.17
    2-phenylethanol 78.53
    styrene 69.71
    dioctyl adipate 28.05
    dimethyl sulfate 183.99
    ethyl butyrate 41.69
    methyl lactate 88.09
    butyl lactate 33.88
    diethyl carbonate 28.57
    propanediol butyl ether 40.73
    triethyl orthoformate 30.55
    p-tert-butyltoluene 14.4
    methyl 4-tert-butylbenzoate 60.33
    morpholine 133.31
    tert-butylamine 22.79
    n-dodecanol 5.21
    dimethoxymethane 372.36
    ethylene carbonate 39.78
    cyrene 77.25
    2-ethoxyethyl acetate 78.82
    2-ethylhexyl acetate 54.32
    1,2,4-trichlorobenzene 110.35
    4-methylpyridine 299.66
    dibutyl ether 14.33
    2,6-dimethyl-4-heptanol 15.17
    DEF 394.2
    dimethyl isosorbide 143.78
    tetrachloroethylene 160.35
    eugenol 63.93
    triacetin 47.05
    span 80 40.97
    1,4-butanediol 27.31
    1,1-dichloroethane 105.12
    2-methyl-1-pentanol 63.03
    methyl formate 81.84
    2-methyl-1-butanol 130.69
    n-decane 0.37
    butyronitrile 40.62
    3,7-dimethyl-1-octanol 14.8
    1-chlorooctane 4.66
    1-chlorotetradecane 2.12
    n-nonane 0.27
    undecane 0.31
    tert-butylcyclohexane 1.74
    cyclooctane 0.21
    cyclopentanol 38.02
    tetrahydropyran 52.44
    tert-amyl methyl ether 101.97
    2,5,8-trioxanonane 131.62
    1-hexene 9.02
    2-isopropoxyethanol 78.73
    2,2,2-trifluoroethanol 16.94
    methyl butyrate 72.25

    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