4-Ethoxybenzoic acid

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  • Identifiers

    CAS number
    619-86-3

    Molecular formula
    C9H10O3

    SMILES
    CCOC1=CC=C(C=C1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 62.97%
    Sweet 60.6%
    Vanilla 56.13%
    Balsamic 46.28%
    Aromatic 42.11%
    Powdery 39.31%
    Spicy 38.81%
    Floral 37.26%
    Animal 37.09%
    Medicinal 34.07%

     

    Flavor
    Sweet 84.18%
    Balsam 54.7%
    Powdery 42.69%
    Balsamic 41.3%
    Vanilla 40.25%
    Floral 37.09%
    Faint 36.97%
    Creamy 35.15%
    Hawthorn 33.29%
    Honey 30.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.09 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 136.22 ˚C est.

  • Synonyms

    • 4-ETHOXYBENZOIC ACID
    • p-Ethoxybenzoic acid
    • Benzoic acid, 4-ethoxy-
    • Benzoic acid, p-ethoxy-
    • UNII-TZR23XEQ7W
    • TZR23XEQ7W
    • para-Ethoxybenzoic acid
    • NSC 8705
    • NSC-8705
    • EINECS 210-616-3
    • AI3-20152
    • DTXSID2060709
    • 4-ethoxybenzoate
    • 4-Ethoxy-benzoate
    • RefChem:98837
    • Benzoic acid, p-ethoxy-(8CI)
    • DTXCID5043182
    • 210-616-3
    • InChI=1/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11
    • SHSGDXCJYVZFTP-UHFFFAOYSA-N
    • 619-86-3
    • 4-EthoxybenzoicAcid
    • MFCD00002545
    • 4-Ethoxy-benzoic acid
    • 4ethoxybenzoic acid
    • 1-carboxy-4-ethoxybenzene
    • 4-Ethoxybenzoic acid, 99%
    • SCHEMBL177390
    • CHEMBL324769
    • orb1705624
    • SCHEMBL3809849
    • SCHEMBL9176165
    • SCHEMBL9243495
    • SCHEMBL9243500
    • NSC8705
    • ALBB-035122
    • MSK2748-100A
    • SBB015394
    • STK397793
    • AKOS000119552
    • MSK2748-1000A
    • CS-W010810
    • EBC-618244
    • FE54831
    • PS-5022
    • SY022932
    • DB-001293
    • E0045
    • NS00034877
    • ST45046240
    • EN300-16736
    • AH-034/32461045
    • F240027
    • Q27290499
    • Z56759338
    • 4-Ethoxybenzoic acid Solution in Acetonitrile, 100ug/mL
    • F3034-0323
    • 4-Ethoxybenzoic acid Solution in Acetonitrile, 1000ug/mL
    • 81J
    • 619-86-3

  • Applications

    4-Ethoxybenzoic acid (CAS 619-86-3) is primarily used as an intermediate in fine chemical synthesis, including pharmaceutical and agrochemical intermediates; it serves as a scaffold for preparing benzoic acid derivatives such as esters and amides of para-substituted benzoic acid; it is a precursor for aromatic dyes and pigments; in polymer chemistry it is used to prepare functionalized benzoate derivatives for plastics, coatings, and resins; and it is considered a building block in fragrance chemistry for aroma esters and related cosmetic ingredients, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.19
    methanol 85.23
    isopropanol 59.99
    water 0.81
    ethyl acetate 61.56
    n-propanol 62.46
    acetone 150.19
    n-butanol 55.49
    acetonitrile 37.82
    DMF 719.91
    toluene 11.84
    isobutanol 42.84
    1,4-dioxane 104.06
    methyl acetate 69.13
    THF 267.97
    2-butanone 109.39
    n-pentanol 50.28
    sec-butanol 57.15
    n-hexane 3.79
    ethylene glycol 42.43
    NMP 572.94
    cyclohexane 1.12
    DMSO 1187.64
    n-butyl acetate 68.64
    n-octanol 18.5
    chloroform 55.27
    n-propyl acetate 52.87
    acetic acid 102.63
    dichloromethane 76.07
    cyclohexanone 124.58
    propylene glycol 49.71
    isopropyl acetate 52.27
    DMAc 503.44
    2-ethoxyethanol 141.92
    isopentanol 54.78
    n-heptane 1.91
    ethyl formate 39.36
    1,2-dichloroethane 88.65
    n-hexanol 41.73
    2-methoxyethanol 195.55
    isobutyl acetate 32.64
    tetrachloromethane 9.29
    n-pentyl acetate 34.56
    transcutol 700.98
    n-heptanol 19.33
    ethylbenzene 14.83
    MIBK 66.0
    2-propoxyethanol 124.76
    tert-butanol 118.47
    MTBE 104.45
    2-butoxyethanol 57.15
    propionic acid 73.65
    o-xylene 21.12
    formic acid 83.31
    diethyl ether 60.62
    m-xylene 17.77
    p-xylene 17.97
    chlorobenzene 33.68
    dimethyl carbonate 67.86
    n-octane 0.81
    formamide 184.65
    cyclopentanone 255.78
    2-pentanone 94.74
    anisole 82.3
    cyclopentyl methyl ether 108.92
    gamma-butyrolactone 263.53
    1-methoxy-2-propanol 182.55
    pyridine 61.3
    3-pentanone 72.29
    furfural 210.64
    n-dodecane 0.95
    diethylene glycol 129.61
    diisopropyl ether 23.56
    tert-amyl alcohol 110.94
    acetylacetone 127.87
    n-hexadecane 1.13
    acetophenone 81.05
    methyl propionate 84.8
    isopentyl acetate 67.62
    trichloroethylene 162.36
    n-nonanol 18.3
    cyclohexanol 38.95
    benzyl alcohol 59.99
    2-ethylhexanol 27.65
    isooctanol 17.78
    dipropyl ether 33.32
    1,2-dichlorobenzene 46.47
    ethyl lactate 48.93
    propylene carbonate 102.43
    n-methylformamide 179.89
    2-pentanol 46.19
    n-pentane 2.3
    1-propoxy-2-propanol 93.87
    1-methoxy-2-propyl acetate 110.23
    2-(2-methoxypropoxy) propanol 126.61
    mesitylene 15.07
    ε-caprolactone 112.34
    p-cymene 15.25
    epichlorohydrin 258.99
    1,1,1-trichloroethane 50.06
    2-aminoethanol 75.06
    morpholine-4-carbaldehyde 344.35
    sulfolane 587.58
    2,2,4-trimethylpentane 4.54
    2-methyltetrahydrofuran 151.57
    n-hexyl acetate 55.17
    isooctane 3.07
    2-(2-butoxyethoxy)ethanol 147.97
    sec-butyl acetate 40.9
    tert-butyl acetate 93.92
    decalin 3.81
    glycerin 109.9
    diglyme 253.99
    acrylic acid 90.6
    isopropyl myristate 24.56
    n-butyric acid 67.96
    acetyl acetate 45.0
    di(2-ethylhexyl) phthalate 32.1
    ethyl propionate 52.63
    nitromethane 276.67
    1,2-diethoxyethane 114.38
    benzonitrile 46.57
    trioctyl phosphate 21.37
    1-bromopropane 35.39
    gamma-valerolactone 273.28
    n-decanol 14.33
    triethyl phosphate 42.05
    4-methyl-2-pentanol 32.46
    propionitrile 36.41
    vinylene carbonate 82.1
    1,1,2-trichlorotrifluoroethane 179.09
    DMS 82.66
    cumene 15.48
    2-octanol 13.89
    2-hexanone 73.69
    octyl acetate 29.88
    limonene 22.41
    1,2-dimethoxyethane 192.8
    ethyl orthosilicate 38.14
    tributyl phosphate 34.69
    diacetone alcohol 139.14
    N,N-dimethylaniline 64.47
    acrylonitrile 61.95
    aniline 44.84
    1,3-propanediol 84.22
    bromobenzene 26.95
    dibromomethane 41.96
    1,1,2,2-tetrachloroethane 129.74
    2-methyl-cyclohexyl acetate 52.54
    tetrabutyl urea 49.06
    diisobutyl methanol 20.46
    2-phenylethanol 51.77
    styrene 19.45
    dioctyl adipate 47.27
    dimethyl sulfate 223.92
    ethyl butyrate 48.55
    methyl lactate 85.49
    butyl lactate 47.02
    diethyl carbonate 40.48
    propanediol butyl ether 80.22
    triethyl orthoformate 44.89
    p-tert-butyltoluene 16.58
    methyl 4-tert-butylbenzoate 76.3
    morpholine 154.38
    tert-butylamine 60.35
    n-dodecanol 11.3
    dimethoxymethane 220.95
    ethylene carbonate 60.06
    cyrene 117.66
    2-ethoxyethyl acetate 78.04
    2-ethylhexyl acetate 51.43
    1,2,4-trichlorobenzene 66.03
    4-methylpyridine 80.8
    dibutyl ether 29.66
    2,6-dimethyl-4-heptanol 20.46
    DEF 156.0
    dimethyl isosorbide 192.47
    tetrachloroethylene 71.02
    eugenol 78.9
    triacetin 86.23
    span 80 74.47
    1,4-butanediol 45.08
    1,1-dichloroethane 52.2
    2-methyl-1-pentanol 53.84
    methyl formate 108.79
    2-methyl-1-butanol 53.56
    n-decane 1.44
    butyronitrile 35.12
    3,7-dimethyl-1-octanol 26.15
    1-chlorooctane 10.05
    1-chlorotetradecane 4.83
    n-nonane 1.22
    undecane 1.15
    tert-butylcyclohexane 5.05
    cyclooctane 0.79
    cyclopentanol 58.84
    tetrahydropyran 67.43
    tert-amyl methyl ether 89.28
    2,5,8-trioxanonane 205.56
    1-hexene 17.17
    2-isopropoxyethanol 98.04
    2,2,2-trifluoroethanol 53.36
    methyl butyrate 66.05

    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