Ethyl 4-ethoxybenzoate

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  • Identifiers

    CAS number
    23676-09-7

    Molecular formula
    C11H14O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 82.07%
    Sweet 75.44%
    Fruity 70.79%
    Anisic 54.24%
    Cherry 43.61%
    Powdery 43.08%
    Vanilla 41.05%
    Spicy 40.69%
    Balsamic 39.44%
    Herbal 38.96%

     

    Flavor
    Fruity 69.48%
    Balsam 60.47%
    Floral 51.51%
    Sweet 50.37%
    Bitter 45.11%
    Strawberry 35.79%
    Anise 34.53%
    Grape 34.06%
    Plum 33.89%
    Wintergreen 33.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.57 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 114.53 ˚C est.

  • Synonyms

    • Ethyl 4-ethoxybenzoate
    • 23676-09-7
    • Benzoic acid, 4-ethoxy-, ethyl ester
    • NSC-405367
    • TD66HNX95X
    • DTXSID6073443
    • Ethoxy 4-etob
    • RefChem:138765
    • DTXCID0036922
    • 245-818-0
    • 4-Ethoxybenzoic Acid Ethyl Ester
    • 4-Ethoxy ethylbenzoate
    • MFCD00009116
    • Ethyl p-ethoxybenzoate
    • Benzoic acid, p-ethoxy-, ethyl ester
    • Ethyl 4-etoxybenzoate
    • 4-ethoxyethylbenzoate
    • ethyl-4-ethoxybenzoate
    • 4-Ethoxybenzoic acid-ethyl ester
    • EINECS 245-818-0
    • Ethyl4-ethoxybenzoate
    • NSC 405367
    • p-ethoxyethyl benzoate
    • AI3-20315
    • Ethyl para-ethoxybenzoate
    • SCHEMBL76052
    • SCHEMBL2090453
    • SCHEMBL8747591
    • 4-ethoxy-benzoic acid ethyl ester
    • CHEBI:170059
    • Ethyl 4-ethoxybenzoate, AldrichCPR
    • MSK001854
    • NSC405367
    • SBB063746
    • AKOS008948320
    • CS-W015740
    • DS-4087
    • FE70752
    • s11883
    • AC-19626
    • DB-046217
    • E0524
    • NS00010759
    • ST45026848
    • EN300-7404290
    • F140100
    • Z53835769
    • InChI=1/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H
    • 23676-09-7

  • Applications

    Ethyl 4-ethoxybenzoate (CAS 23676-09-7) is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing to scent profiles in personal care products. It can also function as a lightweight solvent or co-solvent in cosmetic formulations and household products. In the coatings and inks sector, the ester may serve as a solvent component aiding resin solubility. Additionally, it is considered an intermediate in organic synthesis for building aroma-related compounds and specialty chemicals for manufacturing processes. These applications may vary with local regulations and formulation limits, but they represent typical uses for this fragrant ester.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 140.14
    methanol 174.68
    isopropanol 103.86
    water 0.3
    ethyl acetate 690.26
    n-propanol 121.98
    acetone 1252.3
    n-butanol 130.34
    acetonitrile 866.85
    DMF 1764.22
    toluene 277.6
    isobutanol 104.28
    1,4-dioxane 728.15
    methyl acetate 645.49
    THF 1082.99
    2-butanone 745.84
    n-pentanol 147.21
    sec-butanol 124.78
    n-hexane 65.5
    ethylene glycol 57.5
    NMP 1745.39
    cyclohexane 69.87
    DMSO 2711.58
    n-butyl acetate 655.91
    n-octanol 102.6
    chloroform 2090.51
    n-propyl acetate 555.09
    acetic acid 636.05
    dichloromethane 2836.23
    cyclohexanone 999.01
    propylene glycol 60.13
    isopropyl acetate 405.92
    DMAc 1388.66
    2-ethoxyethanol 372.82
    isopentanol 151.4
    n-heptane 26.17
    ethyl formate 398.56
    1,2-dichloroethane 1894.24
    n-hexanol 138.56
    2-methoxyethanol 452.41
    isobutyl acetate 285.41
    tetrachloromethane 239.55
    n-pentyl acetate 308.74
    transcutol 1789.4
    n-heptanol 70.89
    ethylbenzene 229.21
    MIBK 336.82
    2-propoxyethanol 347.29
    tert-butanol 244.95
    MTBE 365.03
    2-butoxyethanol 191.39
    propionic acid 361.8
    o-xylene 221.0
    formic acid 188.92
    diethyl ether 434.7
    m-xylene 220.99
    p-xylene 286.14
    chlorobenzene 748.75
    dimethyl carbonate 444.18
    n-octane 14.31
    formamide 506.41
    cyclopentanone 1368.4
    2-pentanone 591.41
    anisole 565.3
    cyclopentyl methyl ether 498.79
    gamma-butyrolactone 1732.3
    1-methoxy-2-propanol 365.24
    pyridine 845.9
    3-pentanone 595.06
    furfural 1366.99
    n-dodecane 13.94
    diethylene glycol 281.97
    diisopropyl ether 148.74
    tert-amyl alcohol 230.69
    acetylacetone 1006.34
    n-hexadecane 17.21
    acetophenone 599.57
    methyl propionate 602.89
    isopentyl acetate 476.3
    trichloroethylene 3358.71
    n-nonanol 96.03
    cyclohexanol 199.82
    benzyl alcohol 307.82
    2-ethylhexanol 128.24
    isooctanol 69.26
    dipropyl ether 232.36
    1,2-dichlorobenzene 781.85
    ethyl lactate 231.99
    propylene carbonate 842.05
    n-methylformamide 622.2
    2-pentanol 114.89
    n-pentane 33.38
    1-propoxy-2-propanol 284.19
    1-methoxy-2-propyl acetate 522.35
    2-(2-methoxypropoxy) propanol 352.26
    mesitylene 161.66
    ε-caprolactone 861.63
    p-cymene 124.25
    epichlorohydrin 1732.53
    1,1,1-trichloroethane 1236.67
    2-aminoethanol 98.39
    morpholine-4-carbaldehyde 1219.09
    sulfolane 2566.12
    2,2,4-trimethylpentane 32.27
    2-methyltetrahydrofuran 707.09
    n-hexyl acetate 443.83
    isooctane 21.9
    2-(2-butoxyethoxy)ethanol 405.45
    sec-butyl acetate 335.6
    tert-butyl acetate 474.72
    decalin 67.09
    glycerin 143.29
    diglyme 922.65
    acrylic acid 480.8
    isopropyl myristate 179.37
    n-butyric acid 430.95
    acetyl acetate 614.75
    di(2-ethylhexyl) phthalate 162.96
    ethyl propionate 512.23
    nitromethane 2110.0
    1,2-diethoxyethane 628.74
    benzonitrile 589.96
    trioctyl phosphate 115.03
    1-bromopropane 639.4
    gamma-valerolactone 1409.99
    n-decanol 74.32
    triethyl phosphate 240.06
    4-methyl-2-pentanol 88.01
    propionitrile 467.18
    vinylene carbonate 805.6
    1,1,2-trichlorotrifluoroethane 1044.92
    DMS 608.09
    cumene 147.56
    2-octanol 68.49
    2-hexanone 502.57
    octyl acetate 218.76
    limonene 174.49
    1,2-dimethoxyethane 865.14
    ethyl orthosilicate 205.32
    tributyl phosphate 196.2
    diacetone alcohol 412.53
    N,N-dimethylaniline 367.98
    acrylonitrile 777.6
    aniline 350.16
    1,3-propanediol 152.01
    bromobenzene 957.79
    dibromomethane 1610.46
    1,1,2,2-tetrachloroethane 2293.08
    2-methyl-cyclohexyl acetate 326.25
    tetrabutyl urea 259.32
    diisobutyl methanol 87.31
    2-phenylethanol 259.62
    styrene 346.8
    dioctyl adipate 292.87
    dimethyl sulfate 961.05
    ethyl butyrate 432.25
    methyl lactate 290.24
    butyl lactate 242.02
    diethyl carbonate 358.2
    propanediol butyl ether 215.23
    triethyl orthoformate 283.67
    p-tert-butyltoluene 121.03
    methyl 4-tert-butylbenzoate 372.24
    morpholine 740.65
    tert-butylamine 159.81
    n-dodecanol 60.88
    dimethoxymethane 763.8
    ethylene carbonate 627.85
    cyrene 378.02
    2-ethoxyethyl acetate 498.42
    2-ethylhexyl acetate 405.13
    1,2,4-trichlorobenzene 848.8
    4-methylpyridine 835.58
    dibutyl ether 265.13
    2,6-dimethyl-4-heptanol 87.31
    DEF 829.17
    dimethyl isosorbide 664.09
    tetrachloroethylene 1320.58
    eugenol 338.68
    triacetin 547.97
    span 80 250.28
    1,4-butanediol 87.02
    1,1-dichloroethane 1245.9
    2-methyl-1-pentanol 176.81
    methyl formate 561.41
    2-methyl-1-butanol 145.28
    n-decane 21.53
    butyronitrile 394.64
    3,7-dimethyl-1-octanol 125.43
    1-chlorooctane 121.06
    1-chlorotetradecane 56.21
    n-nonane 20.45
    undecane 16.77
    tert-butylcyclohexane 56.81
    cyclooctane 28.45
    cyclopentanol 212.08
    tetrahydropyran 554.36
    tert-amyl methyl ether 322.31
    2,5,8-trioxanonane 620.64
    1-hexene 195.82
    2-isopropoxyethanol 269.73
    2,2,2-trifluoroethanol 331.24
    methyl butyrate 665.65

    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