Phenyl 4-methoxybenzoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4181-97-9

    Molecular formula
    C14H12O3

    SMILES
    COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 68.84%
    Balsamic 60.17%
    Sweet 57.88%
    Phenolic 53.47%
    Herbal 41.36%
    Aromatic 41.16%
    Powdery 38.05%
    Fruity 37.29%
    Spicy 36.52%
    Anisic 36.16%

     

    Flavor
    Balsam 64.54%
    Sweet 63.38%
    Herbal 49.06%
    Balsamic 39.47%
    Wintergreen 38.93%
    Floral 38.9%
    Bitter 37.47%
    Powdery 35.51%
    Faint 33.3%
    Honey 31.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.26 (neutral)

    Molecular weight
    228.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    347°C

    Flash point

    • 151.67 ˚C est.

  • Synonyms

    • Phenyl 4-methoxybenzoate
    • 4181-97-9
    • 4-Methoxy-benzoic acid phenyl ester
    • 4-methoxybenzoic acid phenyl ester
    • MFCD00443298
    • p-Methoxybenzoic acid, phenyl ester
    • Benzoic acid, 4-methoxy-, phenyl ester
    • Phenyl4-Methoxybenzoate
    • p-Anisic acid, phenyl ester
    • phenyl p-anisate
    • phenyl-4-methoxybenzoate
    • Phenyl 4-methoxybenzoate #
    • CBDivE_014078
    • SCHEMBL5685683
    • SCHEMBL7633148
    • BNZYBNYNPXKWCM-UHFFFAOYSA-
    • DTXSID60323469
    • NSC404065
    • SBB061391
    • AKOS002947778
    • CS-W001020
    • DS-7068
    • NSC-404065
    • AC-21024
    • SY046096
    • DB-110056
    • ST51047410
    • F337114
    • SR-01000195440
    • SR-01000195440-1
    • InChI=1/C14H12O3/c1-16-12-9-7-11(8-10-12)14(15)17-13-5-3-2-4-6-13/h2-10H,1H3
    • 4181-97-9

  • Applications

    Phenyl 4-methoxybenzoate is primarily used as a fragrance ingredient and aroma compound in perfumery and cosmetics, contributing floral, sweet notes to formulations; it may also serve as a scent additive in household products and air fresheners. It can function as an intermediate in organic synthesis for specialty chemicals and may be evaluated for use in coatings and printing as a fragrance or odorant additive; in some formulations it may be used as a flavor component where permitted. Its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.86
    methanol 32.64
    isopropanol 17.39
    water 0.03
    ethyl acetate 201.04
    n-propanol 28.43
    acetone 95.51
    n-butanol 28.06
    acetonitrile 168.23
    DMF 99.5
    toluene 120.19
    isobutanol 18.4
    1,4-dioxane 266.67
    methyl acetate 186.73
    THF 344.47
    2-butanone 169.83
    n-pentanol 30.94
    sec-butanol 37.21
    n-hexane 3.34
    ethylene glycol 9.49
    NMP 103.67
    cyclohexane 7.97
    DMSO 288.16
    n-butyl acetate 123.03
    n-octanol 12.81
    chloroform 682.6
    n-propyl acetate 123.79
    acetic acid 108.1
    dichloromethane 792.13
    cyclohexanone 178.02
    propylene glycol 18.2
    isopropyl acetate 99.88
    DMAc 234.71
    2-ethoxyethanol 96.27
    isopentanol 30.84
    n-heptane 3.39
    ethyl formate 76.1
    1,2-dichloroethane 563.33
    n-hexanol 26.88
    2-methoxyethanol 121.64
    isobutyl acetate 64.8
    tetrachloromethane 22.1
    n-pentyl acetate 45.72
    transcutol 776.27
    n-heptanol 13.9
    ethylbenzene 57.09
    MIBK 76.77
    2-propoxyethanol 84.16
    tert-butanol 42.78
    MTBE 80.2
    2-butoxyethanol 50.15
    propionic acid 66.51
    o-xylene 56.22
    formic acid 39.78
    diethyl ether 143.06
    m-xylene 45.35
    p-xylene 60.52
    chlorobenzene 155.17
    dimethyl carbonate 90.64
    n-octane 1.39
    formamide 140.79
    cyclopentanone 203.83
    2-pentanone 103.38
    anisole 167.34
    cyclopentyl methyl ether 107.82
    gamma-butyrolactone 279.72
    1-methoxy-2-propanol 88.79
    pyridine 342.99
    3-pentanone 121.25
    furfural 291.71
    n-dodecane 1.59
    diethylene glycol 66.25
    diisopropyl ether 30.11
    tert-amyl alcohol 57.08
    acetylacetone 204.09
    n-hexadecane 1.94
    acetophenone 146.06
    methyl propionate 135.9
    isopentyl acetate 105.05
    trichloroethylene 914.84
    n-nonanol 14.48
    cyclohexanol 39.81
    benzyl alcohol 87.6
    2-ethylhexanol 26.45
    isooctanol 14.12
    dipropyl ether 54.85
    1,2-dichlorobenzene 140.25
    ethyl lactate 52.73
    propylene carbonate 143.11
    n-methylformamide 72.33
    2-pentanol 24.15
    n-pentane 1.83
    1-propoxy-2-propanol 66.0
    1-methoxy-2-propyl acetate 141.23
    2-(2-methoxypropoxy) propanol 112.72
    mesitylene 27.26
    ε-caprolactone 174.91
    p-cymene 27.09
    epichlorohydrin 488.26
    1,1,1-trichloroethane 221.87
    2-aminoethanol 21.54
    morpholine-4-carbaldehyde 219.95
    sulfolane 282.79
    2,2,4-trimethylpentane 3.79
    2-methyltetrahydrofuran 179.62
    n-hexyl acetate 63.33
    isooctane 2.22
    2-(2-butoxyethoxy)ethanol 130.77
    sec-butyl acetate 89.58
    tert-butyl acetate 117.57
    decalin 8.02
    glycerin 40.59
    diglyme 349.31
    acrylic acid 79.57
    isopropyl myristate 33.09
    n-butyric acid 77.29
    acetyl acetate 159.81
    di(2-ethylhexyl) phthalate 31.9
    ethyl propionate 111.72
    nitromethane 356.78
    1,2-diethoxyethane 201.55
    benzonitrile 123.31
    trioctyl phosphate 18.57
    1-bromopropane 162.49
    gamma-valerolactone 250.64
    n-decanol 11.58
    triethyl phosphate 64.59
    4-methyl-2-pentanol 18.72
    propionitrile 106.25
    vinylene carbonate 150.33
    1,1,2-trichlorotrifluoroethane 237.82
    DMS 122.22
    cumene 30.39
    2-octanol 9.23
    2-hexanone 103.19
    octyl acetate 35.83
    limonene 34.95
    1,2-dimethoxyethane 235.33
    ethyl orthosilicate 56.84
    tributyl phosphate 33.23
    diacetone alcohol 110.39
    N,N-dimethylaniline 81.68
    acrylonitrile 174.01
    aniline 111.72
    1,3-propanediol 38.49
    bromobenzene 178.93
    dibromomethane 428.49
    1,1,2,2-tetrachloroethane 620.49
    2-methyl-cyclohexyl acetate 76.75
    tetrabutyl urea 41.85
    diisobutyl methanol 21.21
    2-phenylethanol 68.59
    styrene 88.91
    dioctyl adipate 67.35
    dimethyl sulfate 148.21
    ethyl butyrate 110.26
    methyl lactate 61.04
    butyl lactate 41.8
    diethyl carbonate 90.79
    propanediol butyl ether 46.03
    triethyl orthoformate 83.92
    p-tert-butyltoluene 24.81
    methyl 4-tert-butylbenzoate 87.94
    morpholine 243.46
    tert-butylamine 22.68
    n-dodecanol 9.85
    dimethoxymethane 152.32
    ethylene carbonate 111.2
    cyrene 92.68
    2-ethoxyethyl acetate 106.71
    2-ethylhexyl acetate 86.82
    1,2,4-trichlorobenzene 173.22
    4-methylpyridine 201.83
    dibutyl ether 47.17
    2,6-dimethyl-4-heptanol 21.21
    DEF 134.54
    dimethyl isosorbide 190.52
    tetrachloroethylene 301.68
    eugenol 80.71
    triacetin 125.67
    span 80 63.29
    1,4-butanediol 15.29
    1,1-dichloroethane 273.31
    2-methyl-1-pentanol 41.32
    methyl formate 66.33
    2-methyl-1-butanol 31.95
    n-decane 2.36
    butyronitrile 74.93
    3,7-dimethyl-1-octanol 21.4
    1-chlorooctane 14.8
    1-chlorotetradecane 7.08
    n-nonane 1.93
    undecane 1.85
    tert-butylcyclohexane 6.31
    cyclooctane 2.83
    cyclopentanol 34.37
    tetrahydropyran 185.24
    tert-amyl methyl ether 74.57
    2,5,8-trioxanonane 237.34
    1-hexene 24.56
    2-isopropoxyethanol 70.29
    2,2,2-trifluoroethanol 48.1
    methyl butyrate 130.78

    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