4-Methoxyphenyl benzoate

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  • Identifiers

    CAS number
    1523-19-9

    Molecular formula
    C14H12O3

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Balsamic 63.37%
    Floral 62.68%
    Sweet 57.78%
    Phenolic 54.87%
    Aromatic 41.6%
    Herbal 40.65%
    Spicy 39.67%
    Powdery 39.15%
    Woody 36.04%
    Anisic 34.45%

     

    Flavor
    Sweet 66.27%
    Balsam 62.72%
    Herbal 47.42%
    Bitter 43.71%
    Balsamic 39.42%
    Wintergreen 38.61%
    Floral 38.27%
    Powdery 37.62%
    Faint 34.12%
    Anise 31.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.69 (neutral)

    Molecular weight
    228.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 152.51 ˚C est.

  • Synonyms

    • 4-methoxyphenyl benzoate
    • 1523-19-9
    • p-methoxyphenyl benzoate
    • Phenol, 4-methoxy-, benzoate
    • 4-Methoxyphenol benzoate
    • UNII-U6KN6JHF4W
    • U6KN6JHF4W
    • (4-methoxyphenyl) benzoate
    • PHENOL, 4-METHOXY-, 1-BENZOATE
    • PARA-ANISYL BENZOATE
    • DTXSID90934461
    • PHENOL, P-METHOXY-, BENZOATE
    • BENZOIC ACID, P-METHOXYPHENYL ESTER
    • 4-Benzoyloxyanisole
    • Phenol,4-methoxy-,benzoate
    • SCHEMBL1546266
    • PMRMHHUTWZPFIY-UHFFFAOYSA-N
    • DTXCID501363109
    • Benzoic acid 4-methoxy-phenyl ester
    • benzoic acid (4-methoxyphenyl) ester
    • AKOS002953565
    • AE-641/01171008
    • Q27290754
    • 662-814-8

  • Applications

    4-Methoxyphenyl benzoate (CAS number: 1523-19-9) is primarily used in fragrance applications, serving as a fragrance ingredient and fixative to help extend scent notes in perfumery. It is also used in cosmetics and personal care as a fragrance component in creams, lotions, and soaps. In household and cleaning products, it may be employed as a fragrance additive in air fresheners and detergents. In industrial manufacturing, it is commonly evaluated as an intermediate for the synthesis of aroma-related esters and other specialty chemicals. It may also serve as a precursor for other anisyl-containing compounds in fragrance-related syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.91
    methanol 38.48
    isopropanol 19.13
    water 0.03
    ethyl acetate 246.96
    n-propanol 28.51
    acetone 15.78
    n-butanol 25.37
    acetonitrile 129.14
    DMF 19.64
    toluene 64.29
    isobutanol 14.23
    1,4-dioxane 253.71
    methyl acetate 141.01
    THF 164.07
    2-butanone 68.94
    n-pentanol 25.95
    sec-butanol 29.64
    n-hexane 2.17
    ethylene glycol 8.41
    NMP 14.12
    cyclohexane 5.39
    DMSO 72.78
    n-butyl acetate 75.22
    n-octanol 13.63
    chloroform 430.73
    n-propyl acetate 79.48
    acetic acid 66.89
    dichloromethane 470.57
    cyclohexanone 55.18
    propylene glycol 13.3
    isopropyl acetate 79.12
    DMAc 83.14
    2-ethoxyethanol 94.06
    isopentanol 25.43
    n-heptane 3.13
    ethyl formate 52.11
    1,2-dichloroethane 293.16
    n-hexanol 25.36
    2-methoxyethanol 108.68
    isobutyl acetate 45.32
    tetrachloromethane 15.09
    n-pentyl acetate 32.16
    transcutol 437.97
    n-heptanol 13.83
    ethylbenzene 50.24
    MIBK 44.24
    2-propoxyethanol 75.0
    tert-butanol 43.72
    MTBE 62.03
    2-butoxyethanol 41.5
    propionic acid 41.41
    o-xylene 37.44
    formic acid 20.24
    diethyl ether 109.22
    m-xylene 28.61
    p-xylene 47.99
    chlorobenzene 74.12
    dimethyl carbonate 50.66
    n-octane 2.19
    formamide 61.52
    cyclopentanone 44.01
    2-pentanone 44.61
    anisole 118.27
    cyclopentyl methyl ether 47.39
    gamma-butyrolactone 86.57
    1-methoxy-2-propanol 71.18
    pyridine 205.94
    3-pentanone 55.37
    furfural 125.04
    n-dodecane 2.67
    diethylene glycol 59.37
    diisopropyl ether 21.84
    tert-amyl alcohol 48.09
    acetylacetone 105.4
    n-hexadecane 3.13
    acetophenone 85.24
    methyl propionate 98.69
    isopentyl acetate 72.99
    trichloroethylene 486.97
    n-nonanol 15.9
    cyclohexanol 25.88
    benzyl alcohol 57.78
    2-ethylhexanol 22.09
    isooctanol 13.88
    dipropyl ether 41.09
    1,2-dichlorobenzene 80.58
    ethyl lactate 31.73
    propylene carbonate 62.49
    n-methylformamide 24.69
    2-pentanol 20.59
    n-pentane 1.11
    1-propoxy-2-propanol 48.12
    1-methoxy-2-propyl acetate 92.96
    2-(2-methoxypropoxy) propanol 83.56
    mesitylene 19.56
    ε-caprolactone 76.01
    p-cymene 22.71
    epichlorohydrin 257.39
    1,1,1-trichloroethane 143.6
    2-aminoethanol 19.11
    morpholine-4-carbaldehyde 78.22
    sulfolane 68.17
    2,2,4-trimethylpentane 2.85
    2-methyltetrahydrofuran 80.95
    n-hexyl acetate 44.67
    isooctane 1.82
    2-(2-butoxyethoxy)ethanol 99.04
    sec-butyl acetate 63.95
    tert-butyl acetate 81.02
    decalin 7.02
    glycerin 26.99
    diglyme 240.93
    acrylic acid 38.5
    isopropyl myristate 27.67
    n-butyric acid 59.31
    acetyl acetate 135.47
    di(2-ethylhexyl) phthalate 24.56
    ethyl propionate 87.2
    nitromethane 150.25
    1,2-diethoxyethane 147.13
    benzonitrile 72.74
    trioctyl phosphate 14.59
    1-bromopropane 98.35
    gamma-valerolactone 88.12
    n-decanol 13.27
    triethyl phosphate 41.64
    4-methyl-2-pentanol 15.73
    propionitrile 91.53
    vinylene carbonate 74.67
    1,1,2-trichlorotrifluoroethane 117.4
    DMS 73.31
    cumene 27.86
    2-octanol 10.31
    2-hexanone 52.07
    octyl acetate 28.32
    limonene 24.78
    1,2-dimethoxyethane 189.3
    ethyl orthosilicate 39.33
    tributyl phosphate 23.69
    diacetone alcohol 72.0
    N,N-dimethylaniline 57.45
    acrylonitrile 127.17
    aniline 57.61
    1,3-propanediol 39.37
    bromobenzene 91.31
    dibromomethane 257.24
    1,1,2,2-tetrachloroethane 330.79
    2-methyl-cyclohexyl acetate 52.18
    tetrabutyl urea 29.93
    diisobutyl methanol 19.91
    2-phenylethanol 52.1
    styrene 66.06
    dioctyl adipate 47.77
    dimethyl sulfate 58.65
    ethyl butyrate 69.9
    methyl lactate 33.03
    butyl lactate 27.4
    diethyl carbonate 63.27
    propanediol butyl ether 31.71
    triethyl orthoformate 54.8
    p-tert-butyltoluene 21.15
    methyl 4-tert-butylbenzoate 62.12
    morpholine 197.04
    tert-butylamine 22.14
    n-dodecanol 12.0
    dimethoxymethane 84.82
    ethylene carbonate 58.3
    cyrene 49.97
    2-ethoxyethyl acetate 76.77
    2-ethylhexyl acetate 56.12
    1,2,4-trichlorobenzene 93.85
    4-methylpyridine 94.66
    dibutyl ether 40.84
    2,6-dimethyl-4-heptanol 19.91
    DEF 52.27
    dimethyl isosorbide 135.98
    tetrachloroethylene 175.26
    eugenol 64.59
    triacetin 73.92
    span 80 43.95
    1,4-butanediol 13.53
    1,1-dichloroethane 149.13
    2-methyl-1-pentanol 32.51
    methyl formate 22.71
    2-methyl-1-butanol 24.31
    n-decane 3.7
    butyronitrile 58.82
    3,7-dimethyl-1-octanol 21.6
    1-chlorooctane 15.72
    1-chlorotetradecane 8.86
    n-nonane 2.98
    undecane 3.04
    tert-butylcyclohexane 5.87
    cyclooctane 2.17
    cyclopentanol 14.57
    tetrahydropyran 123.06
    tert-amyl methyl ether 55.23
    2,5,8-trioxanonane 178.85
    1-hexene 16.19
    2-isopropoxyethanol 58.97
    2,2,2-trifluoroethanol 25.34
    methyl butyrate 81.96

    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