Methyl 4-ethoxybenzoate

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  • Identifiers

    CAS number
    23676-08-6

    Molecular formula
    C10H12O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.96%
    Floral 76.19%
    Fruity 61.92%
    Anisic 61.76%
    Vanilla 47.45%
    Herbal 46.89%
    Cherry 46.06%
    Powdery 43.42%
    Spicy 39.67%
    Aromatic 38.61%

     

    Flavor
    Balsam 64.71%
    Fruity 64.3%
    Sweet 59.72%
    Floral 57.16%
    Herbal 43.02%
    Anise 38.28%
    Wintergreen 38.16%
    Powdery 37.78%
    Bitter 36.12%
    Strawberry 35.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.6 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 104.19 ˚C est.

  • Synonyms

    • Methyl 4-ethoxybenzoate
    • 23676-08-6
    • Benzoic acid, 4-ethoxy-, methyl ester
    • Methyl p-ethoxybenzoate
    • EINECS 245-817-5
    • AI3-20348
    • DTXSID50178344
    • 4-Ethoxybenzoic acid, methyl ester
    • NSC 8378
    • RefChem:157608
    • DTXCID80100835
    • 245-817-5
    • RNHXTCZZACTEMK-UHFFFAOYSA-N
    • MFCD00017264
    • Methyl4-ethoxybenzoate
    • Methyl 4-Ethyloxybenzoate
    • 4-Ethoxybenzoic acid methyl ester
    • Methyl p-Ethoxybenzoate; NSC 8378; p-Ethoxy-,methyl-benzoic Acid Ester
    • SCHEMBL204175
    • orb1306648
    • SCHEMBL7627879
    • SCHEMBL11174565
    • SCHEMBL17046306
    • NSC8378
    • 4-Ethoxy-benzoic acid methyl ester
    • NSC-8378
    • SBB041033
    • STK446997
    • AKOS000269699
    • AB11781
    • CS-W017204
    • FM70359
    • AI320348
    • AS-63084
    • SY078792
    • DB-046216
    • M2738
    • NS00027469
    • ST50214687
    • 676M086
    • F337153
    • 23676-08-6

  • Applications

    Methyl 4-ethoxybenzoate (CAS 23676-08-6) is primarily used as an aroma chemical in perfumery and cosmetics, contributing specific floral/fruit notes and sometimes acting as a fragrance fixative or carrier; it is commonly evaluated as an intermediate in organic synthesis to prepare other para-substituted benzoate derivatives; it may serve as a fragrance ingredient in certain household products such as cleaners and air fresheners; it can function as a building block for specialty esters used in polymer coatings and inks; and it may be employed as a solvent or processing aid in some industrial formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.39
    methanol 87.84
    isopropanol 63.74
    water 0.52
    ethyl acetate 220.98
    n-propanol 68.84
    acetone 501.69
    n-butanol 68.75
    acetonitrile 295.98
    DMF 966.42
    toluene 95.83
    isobutanol 52.71
    1,4-dioxane 335.49
    methyl acetate 239.59
    THF 510.28
    2-butanone 310.84
    n-pentanol 73.98
    sec-butanol 68.79
    n-hexane 23.59
    ethylene glycol 47.11
    NMP 1054.3
    cyclohexane 18.25
    DMSO 1713.98
    n-butyl acetate 227.59
    n-octanol 35.09
    chloroform 804.61
    n-propyl acetate 202.91
    acetic acid 284.08
    dichloromethane 1039.62
    cyclohexanone 369.4
    propylene glycol 44.56
    isopropyl acetate 151.56
    DMAc 796.09
    2-ethoxyethanol 248.39
    isopentanol 77.0
    n-heptane 8.59
    ethyl formate 152.45
    1,2-dichloroethane 743.84
    n-hexanol 64.44
    2-methoxyethanol 292.14
    isobutyl acetate 109.53
    tetrachloromethane 111.38
    n-pentyl acetate 105.99
    transcutol 1228.11
    n-heptanol 29.88
    ethylbenzene 93.18
    MIBK 150.95
    2-propoxyethanol 206.85
    tert-butanol 140.17
    MTBE 199.08
    2-butoxyethanol 105.01
    propionic acid 157.81
    o-xylene 97.67
    formic acid 148.33
    diethyl ether 189.56
    m-xylene 82.88
    p-xylene 107.65
    chlorobenzene 280.06
    dimethyl carbonate 203.51
    n-octane 3.6
    formamide 372.44
    cyclopentanone 619.06
    2-pentanone 240.2
    anisole 322.09
    cyclopentyl methyl ether 239.81
    gamma-butyrolactone 754.34
    1-methoxy-2-propanol 233.12
    pyridine 330.25
    3-pentanone 232.78
    furfural 716.45
    n-dodecane 3.24
    diethylene glycol 203.88
    diisopropyl ether 70.14
    tert-amyl alcohol 136.25
    acetylacetone 424.65
    n-hexadecane 4.03
    acetophenone 313.45
    methyl propionate 224.99
    isopentyl acetate 198.71
    trichloroethylene 1475.44
    n-nonanol 34.44
    cyclohexanol 77.6
    benzyl alcohol 170.81
    2-ethylhexanol 56.7
    isooctanol 30.23
    dipropyl ether 95.6
    1,2-dichlorobenzene 342.05
    ethyl lactate 119.64
    propylene carbonate 338.25
    n-methylformamide 342.64
    2-pentanol 60.61
    n-pentane 12.63
    1-propoxy-2-propanol 157.04
    1-methoxy-2-propyl acetate 274.74
    2-(2-methoxypropoxy) propanol 229.68
    mesitylene 64.6
    ε-caprolactone 333.36
    p-cymene 54.96
    epichlorohydrin 940.36
    1,1,1-trichloroethane 502.8
    2-aminoethanol 74.29
    morpholine-4-carbaldehyde 746.14
    sulfolane 1402.18
    2,2,4-trimethylpentane 15.61
    2-methyltetrahydrofuran 331.26
    n-hexyl acetate 158.0
    isooctane 9.35
    2-(2-butoxyethoxy)ethanol 252.34
    sec-butyl acetate 136.47
    tert-butyl acetate 240.71
    decalin 23.97
    glycerin 113.81
    diglyme 595.12
    acrylic acid 232.45
    isopropyl myristate 65.76
    n-butyric acid 161.02
    acetyl acetate 218.86
    di(2-ethylhexyl) phthalate 76.68
    ethyl propionate 192.32
    nitromethane 1046.82
    1,2-diethoxyethane 315.86
    benzonitrile 234.59
    trioctyl phosphate 47.53
    1-bromopropane 234.78
    gamma-valerolactone 694.68
    n-decanol 26.06
    triethyl phosphate 124.78
    4-methyl-2-pentanol 46.19
    propionitrile 161.11
    vinylene carbonate 332.2
    1,1,2-trichlorotrifluoroethane 650.74
    DMS 272.51
    cumene 68.41
    2-octanol 25.1
    2-hexanone 218.51
    octyl acetate 78.35
    limonene 76.3
    1,2-dimethoxyethane 483.2
    ethyl orthosilicate 108.66
    tributyl phosphate 83.71
    diacetone alcohol 239.76
    N,N-dimethylaniline 213.7
    acrylonitrile 297.01
    aniline 175.0
    1,3-propanediol 101.15
    bromobenzene 318.52
    dibromomethane 581.28
    1,1,2,2-tetrachloroethane 991.02
    2-methyl-cyclohexyl acetate 156.75
    tetrabutyl urea 111.16
    diisobutyl methanol 42.61
    2-phenylethanol 138.22
    styrene 140.59
    dioctyl adipate 129.79
    dimethyl sulfate 547.69
    ethyl butyrate 168.97
    methyl lactate 162.11
    butyl lactate 107.2
    diethyl carbonate 145.44
    propanediol butyl ether 120.7
    triethyl orthoformate 131.63
    p-tert-butyltoluene 55.08
    methyl 4-tert-butylbenzoate 197.03
    morpholine 380.2
    tert-butylamine 86.57
    n-dodecanol 20.76
    dimethoxymethane 406.21
    ethylene carbonate 236.57
    cyrene 248.29
    2-ethoxyethyl acetate 218.03
    2-ethylhexyl acetate 166.39
    1,2,4-trichlorobenzene 414.06
    4-methylpyridine 349.17
    dibutyl ether 86.04
    2,6-dimethyl-4-heptanol 42.61
    DEF 369.75
    dimethyl isosorbide 431.66
    tetrachloroethylene 579.94
    eugenol 196.88
    triacetin 252.84
    span 80 134.17
    1,4-butanediol 57.71
    1,1-dichloroethane 448.17
    2-methyl-1-pentanol 91.63
    methyl formate 286.71
    2-methyl-1-butanol 77.76
    n-decane 5.43
    butyronitrile 142.55
    3,7-dimethyl-1-octanol 52.93
    1-chlorooctane 35.02
    1-chlorotetradecane 16.2
    n-nonane 4.95
    undecane 4.05
    tert-butylcyclohexane 21.97
    cyclooctane 8.58
    cyclopentanol 92.66
    tetrahydropyran 218.63
    tert-amyl methyl ether 183.2
    2,5,8-trioxanonane 424.65
    1-hexene 74.58
    2-isopropoxyethanol 175.24
    2,2,2-trifluoroethanol 186.2
    methyl butyrate 243.78

    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