Benzyl 4-methoxybenzoate

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  • Identifiers

    CAS number
    6316-54-7

    Molecular formula
    C15H14O3

    SMILES
    COC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 73.32%
    Balsamic 70.65%
    Floral 67.21%
    Fruity 51.71%
    Herbal 51.33%
    Anisic 44.13%
    Spicy 43.59%
    Cherry 42.59%
    Powdery 40.62%
    Aromatic 37.93%

     

    Flavor
    Balsam 78.92%
    Sweet 71.67%
    Herbal 58.87%
    Floral 51.84%
    Fruity 51.55%
    Balsamic 47.7%
    Cherry 47.65%
    Strawberry 45.48%
    Almond 44.38%
    Wintergreen 41.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.61 (neutral)

    Molecular weight
    242.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    365°C

    Flash point

    • 164.67 ˚C est.

  • Synonyms

    • 6316-54-7
    • Benzyl 4-methoxybenzoate
    • Benzyl anisate
    • Benzoic acid, 4-methoxy-, phenylmethyl ester
    • Benzyl p-anisate
    • 65515-53-9
    • 4-Methoxybenzoic acid, benzyl ester
    • EINECS 228-651-8
    • EINECS 265-804-8
    • benzyl-4-methoxybenzoate
    • AI3-30648
    • Benzyl 4-methoxybenzoate #
    • Phenylmethyl 4-methoxybenzoate
    • SCHEMBL2704247
    • DTXSID20979143
    • NSC22554
    • NSC 22554
    • NSC-22554
    • AKOS003442195
    • NS00043592
    • 6316-54-7

  • Applications

    Benzyl 4-methoxybenzoate (CAS 6316-54-7) is used primarily as a fragrance ingredient in perfumery, cosmetics, and personal care, providing a mild anis-like scent and contributing to fragrance longevity. It is often employed as a solvent or carrier for fragrance materials in formulations, aiding solubility and even distribution. In chemical manufacturing, the ester serves as an intermediate for preparing anisate-containing derivatives or related polymers. Additionally, it can function as a fragrance component in coatings, paints, and inks, acting as a scent additive or processing aid. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.14
    methanol 42.76
    isopropanol 17.12
    water 0.06
    ethyl acetate 187.92
    n-propanol 31.76
    acetone 73.48
    n-butanol 31.07
    acetonitrile 123.67
    DMF 111.0
    toluene 127.46
    isobutanol 19.14
    1,4-dioxane 224.75
    methyl acetate 155.24
    THF 283.28
    2-butanone 136.15
    n-pentanol 29.93
    sec-butanol 32.82
    n-hexane 3.37
    ethylene glycol 10.73
    NMP 104.93
    cyclohexane 6.72
    DMSO 236.4
    n-butyl acetate 87.65
    n-octanol 8.28
    chloroform 765.98
    n-propyl acetate 99.23
    acetic acid 105.4
    dichloromethane 899.45
    cyclohexanone 139.0
    propylene glycol 17.86
    isopropyl acetate 99.42
    DMAc 233.18
    2-ethoxyethanol 109.01
    isopentanol 33.87
    n-heptane 2.88
    ethyl formate 61.12
    1,2-dichloroethane 614.65
    n-hexanol 23.77
    2-methoxyethanol 126.46
    isobutyl acetate 54.33
    tetrachloromethane 30.27
    n-pentyl acetate 34.49
    transcutol 801.95
    n-heptanol 11.28
    ethylbenzene 52.34
    MIBK 75.48
    2-propoxyethanol 81.46
    tert-butanol 41.69
    MTBE 78.19
    2-butoxyethanol 46.87
    propionic acid 64.17
    o-xylene 61.83
    formic acid 54.96
    diethyl ether 156.75
    m-xylene 49.4
    p-xylene 50.54
    chlorobenzene 151.63
    dimethyl carbonate 102.63
    n-octane 0.98
    formamide 181.56
    cyclopentanone 169.34
    2-pentanone 96.09
    anisole 169.22
    cyclopentyl methyl ether 116.67
    gamma-butyrolactone 242.97
    1-methoxy-2-propanol 88.71
    pyridine 297.31
    3-pentanone 118.13
    furfural 263.86
    n-dodecane 0.85
    diethylene glycol 68.43
    diisopropyl ether 32.39
    tert-amyl alcohol 55.62
    acetylacetone 178.19
    n-hexadecane 1.05
    acetophenone 140.72
    methyl propionate 139.16
    isopentyl acetate 88.06
    trichloroethylene 1079.68
    n-nonanol 9.54
    cyclohexanol 36.02
    benzyl alcohol 89.48
    2-ethylhexanol 21.31
    isooctanol 11.71
    dipropyl ether 51.41
    1,2-dichlorobenzene 152.12
    ethyl lactate 47.08
    propylene carbonate 119.4
    n-methylformamide 80.12
    2-pentanol 26.51
    n-pentane 2.57
    1-propoxy-2-propanol 60.68
    1-methoxy-2-propyl acetate 137.46
    2-(2-methoxypropoxy) propanol 105.29
    mesitylene 28.9
    ε-caprolactone 137.43
    p-cymene 24.08
    epichlorohydrin 504.34
    1,1,1-trichloroethane 254.96
    2-aminoethanol 26.85
    morpholine-4-carbaldehyde 199.46
    sulfolane 256.15
    2,2,4-trimethylpentane 3.81
    2-methyltetrahydrofuran 154.13
    n-hexyl acetate 42.79
    isooctane 2.45
    2-(2-butoxyethoxy)ethanol 124.49
    sec-butyl acetate 80.0
    tert-butyl acetate 124.44
    decalin 6.77
    glycerin 42.84
    diglyme 339.0
    acrylic acid 78.79
    isopropyl myristate 23.71
    n-butyric acid 72.02
    acetyl acetate 146.4
    di(2-ethylhexyl) phthalate 26.48
    ethyl propionate 99.34
    nitromethane 350.5
    1,2-diethoxyethane 195.31
    benzonitrile 103.34
    trioctyl phosphate 14.37
    1-bromopropane 165.49
    gamma-valerolactone 220.14
    n-decanol 7.34
    triethyl phosphate 58.89
    4-methyl-2-pentanol 19.94
    propionitrile 92.19
    vinylene carbonate 130.91
    1,1,2-trichlorotrifluoroethane 257.05
    DMS 103.96
    cumene 28.26
    2-octanol 6.38
    2-hexanone 84.21
    octyl acetate 25.1
    limonene 31.1
    1,2-dimethoxyethane 217.6
    ethyl orthosilicate 54.76
    tributyl phosphate 25.4
    diacetone alcohol 109.34
    N,N-dimethylaniline 86.41
    acrylonitrile 150.71
    aniline 119.9
    1,3-propanediol 41.81
    bromobenzene 183.83
    dibromomethane 468.36
    1,1,2,2-tetrachloroethane 726.01
    2-methyl-cyclohexyl acetate 70.86
    tetrabutyl urea 33.15
    diisobutyl methanol 18.66
    2-phenylethanol 64.63
    styrene 79.64
    dioctyl adipate 53.66
    dimethyl sulfate 164.24
    ethyl butyrate 91.83
    methyl lactate 61.18
    butyl lactate 34.2
    diethyl carbonate 75.69
    propanediol butyl ether 38.88
    triethyl orthoformate 75.66
    p-tert-butyltoluene 22.13
    methyl 4-tert-butylbenzoate 81.48
    morpholine 215.23
    tert-butylamine 24.12
    n-dodecanol 6.05
    dimethoxymethane 171.07
    ethylene carbonate 95.02
    cyrene 93.15
    2-ethoxyethyl acetate 96.53
    2-ethylhexyl acetate 70.77
    1,2,4-trichlorobenzene 183.87
    4-methylpyridine 185.91
    dibutyl ether 32.06
    2,6-dimethyl-4-heptanol 18.66
    DEF 134.96
    dimethyl isosorbide 194.61
    tetrachloroethylene 367.28
    eugenol 74.26
    triacetin 106.44
    span 80 54.27
    1,4-butanediol 17.53
    1,1-dichloroethane 296.82
    2-methyl-1-pentanol 39.89
    methyl formate 65.58
    2-methyl-1-butanol 33.38
    n-decane 1.41
    butyronitrile 61.7
    3,7-dimethyl-1-octanol 15.86
    1-chlorooctane 9.81
    1-chlorotetradecane 4.42
    n-nonane 1.19
    undecane 1.04
    tert-butylcyclohexane 5.37
    cyclooctane 2.83
    cyclopentanol 28.75
    tetrahydropyran 152.67
    tert-amyl methyl ether 78.24
    2,5,8-trioxanonane 228.49
    1-hexene 22.5
    2-isopropoxyethanol 73.92
    2,2,2-trifluoroethanol 53.38
    methyl butyrate 108.41

    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