Anisyl phenylacetate

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  • Identifiers

    CAS number
    102-17-0

    Molecular formula
    C16H16O3

    SMILES
    COC1=CC=C(C=C1)COC(=O)CC2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 71.82%
    Honey 69.54%
    Sweet 66.61%
    Balsamic 64.53%
    Rose 55.31%
    Spicy 46.87%
    Powdery 43.9%
    Fruity 39.17%
    Animal 34.39%
    Phenolic 34.11%

     

    Flavor
    Sweet 86.02%
    Floral 75.53%
    Balsam 73.32%
    Honey 62.11%
    Fruity 57.69%
    Rose 57.48%
    Chocolate 48.27%
    Cherry 44.67%
    Anise 40.51%
    Balsamic 39.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.25 (neutral)

    Molecular weight
    256.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 370.00 °C. @ 760.00 mm Hg

    Flash point

    • 163.22 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-Methoxybenzyl phenylacetate
    • Anisyl phenylacetate
    • 102-17-0
    • Benzeneacetic acid, (4-methoxyphenyl)methyl ester
    • (4-methoxyphenyl)methyl 2-phenylacetate
    • p-Methoxybenzyl phenylacetate
    • Anisyl alpha-toluate
    • Phenylacetic acid, p-methoxybenzyl ester
    • FEMA No. 3740
    • ACETIC ACID, PHENYL-, p-METHOXYBENZYL ESTER
    • p-Anisyl phenylacetate
    • (4-Methoxyphenyl)methyl benzeneacetate
    • EINECS 203-010-5
    • BRN 5045439
    • AI3-36547
    • UNII-7475820557
    • DTXSID5059246
    • ANISYL PHENYLACETATE [FHFI]
    • ANISYL PHENYLACETATE [USP-RS]
    • BENZYL ALCOHOL, P-METHOXY-, PHENYLACETATE
    • ANISYL PHENYLACETATE (USP-RS)
    • para-anisyl phenyl acetate
    • Anisyl phenylacetate, >=97%
    • SCHEMBL1171464
    • 4-Methoxybenzyl phenylacetate #
    • DTXCID3032674
    • FEMA 3740
    • CHEBI:193411
    • 4-Methoxybenzyl phenylacetate, 97%
    • AKOS015913662
    • AS-85055
    • DB-243052
    • NS00011991
    • Q27231286
    • Anisyl phenylacetate, United States Pharmacopeia (USP) Reference Standard

  • Applications

    Primarily used as a fragrance ingredient and odorant in perfumery, Anisyl phenylacetate provides fruity and floral notes and can contribute as a mid- to top-note component with some fixative characteristics. It is also employed in cosmetics and personal care formulations (fine fragrances, lotions, shampoos) to impart scent. In household and cleaning products, it may be used as a fragrance additive to impart fresh, sweet notes. In coatings and inks, it can serve as a fragrance component to enhance product scent during use. It may also be considered for fragrance applications in polymers/plastics where a scent release is desirable, subject to regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 89.73
    methanol 118.03
    isopropanol 49.82
    water 0.12
    ethyl acetate 169.47
    n-propanol 62.74
    acetone 32.15
    n-butanol 41.78
    acetonitrile 151.68
    DMF 36.06
    toluene 39.71
    isobutanol 27.19
    1,4-dioxane 330.58
    methyl acetate 147.89
    THF 284.9
    2-butanone 87.88
    n-pentanol 45.08
    sec-butanol 42.86
    n-hexane 0.63
    ethylene glycol 28.9
    NMP 18.19
    cyclohexane 1.77
    DMSO 290.46
    n-butyl acetate 43.93
    n-octanol 11.79
    chloroform 470.32
    n-propyl acetate 65.33
    acetic acid 103.59
    dichloromethane 542.69
    cyclohexanone 62.49
    propylene glycol 71.85
    isopropyl acetate 59.15
    DMAc 128.8
    2-ethoxyethanol 177.68
    isopentanol 28.74
    n-heptane 1.8
    ethyl formate 58.83
    1,2-dichloroethane 314.59
    n-hexanol 28.09
    2-methoxyethanol 214.39
    isobutyl acetate 34.36
    tetrachloromethane 10.57
    n-pentyl acetate 18.93
    transcutol 532.93
    n-heptanol 12.5
    ethylbenzene 24.43
    MIBK 39.38
    2-propoxyethanol 100.24
    tert-butanol 58.96
    MTBE 36.61
    2-butoxyethanol 46.53
    propionic acid 69.5
    o-xylene 21.19
    formic acid 45.3
    diethyl ether 69.71
    m-xylene 18.54
    p-xylene 25.48
    chlorobenzene 58.51
    dimethyl carbonate 50.14
    n-octane 1.06
    formamide 116.07
    cyclopentanone 63.89
    2-pentanone 48.03
    anisole 88.9
    cyclopentyl methyl ether 47.68
    gamma-butyrolactone 120.88
    1-methoxy-2-propanol 145.54
    pyridine 180.84
    3-pentanone 52.62
    furfural 135.92
    n-dodecane 1.46
    diethylene glycol 99.47
    diisopropyl ether 10.85
    tert-amyl alcohol 41.0
    acetylacetone 98.49
    n-hexadecane 1.65
    acetophenone 68.97
    methyl propionate 93.16
    isopentyl acetate 40.03
    trichloroethylene 444.33
    n-nonanol 13.82
    cyclohexanol 30.46
    benzyl alcohol 68.85
    2-ethylhexanol 18.54
    isooctanol 11.95
    dipropyl ether 34.62
    1,2-dichlorobenzene 56.94
    ethyl lactate 38.58
    propylene carbonate 63.78
    n-methylformamide 45.38
    2-pentanol 23.9
    n-pentane 0.42
    1-propoxy-2-propanol 65.22
    1-methoxy-2-propyl acetate 77.03
    2-(2-methoxypropoxy) propanol 77.46
    mesitylene 10.83
    ε-caprolactone 73.69
    p-cymene 13.8
    epichlorohydrin 298.43
    1,1,1-trichloroethane 103.07
    2-aminoethanol 66.85
    morpholine-4-carbaldehyde 102.3
    sulfolane 105.71
    2,2,4-trimethylpentane 1.13
    2-methyltetrahydrofuran 92.45
    n-hexyl acetate 27.65
    isooctane 0.87
    2-(2-butoxyethoxy)ethanol 105.94
    sec-butyl acetate 41.1
    tert-butyl acetate 54.24
    decalin 2.97
    glycerin 87.71
    diglyme 236.81
    acrylic acid 61.94
    isopropyl myristate 17.76
    n-butyric acid 76.63
    acetyl acetate 90.01
    di(2-ethylhexyl) phthalate 19.47
    ethyl propionate 64.87
    nitromethane 244.26
    1,2-diethoxyethane 121.36
    benzonitrile 60.66
    trioctyl phosphate 10.87
    1-bromopropane 74.86
    gamma-valerolactone 117.19
    n-decanol 11.4
    triethyl phosphate 32.09
    4-methyl-2-pentanol 15.2
    propionitrile 86.7
    vinylene carbonate 72.47
    1,1,2-trichlorotrifluoroethane 152.11
    DMS 53.27
    cumene 15.26
    2-octanol 7.37
    2-hexanone 49.38
    octyl acetate 19.33
    limonene 15.78
    1,2-dimethoxyethane 233.39
    ethyl orthosilicate 29.76
    tributyl phosphate 17.04
    diacetone alcohol 66.07
    N,N-dimethylaniline 46.77
    acrylonitrile 112.13
    aniline 54.93
    1,3-propanediol 91.31
    bromobenzene 62.02
    dibromomethane 245.01
    1,1,2,2-tetrachloroethane 331.8
    2-methyl-cyclohexyl acetate 40.39
    tetrabutyl urea 24.1
    diisobutyl methanol 14.55
    2-phenylethanol 45.69
    styrene 34.51
    dioctyl adipate 35.64
    dimethyl sulfate 68.75
    ethyl butyrate 49.41
    methyl lactate 52.17
    butyl lactate 24.11
    diethyl carbonate 45.29
    propanediol butyl ether 40.34
    triethyl orthoformate 42.26
    p-tert-butyltoluene 12.24
    methyl 4-tert-butylbenzoate 51.91
    morpholine 285.05
    tert-butylamine 20.1
    n-dodecanol 9.72
    dimethoxymethane 138.25
    ethylene carbonate 57.09
    cyrene 62.54
    2-ethoxyethyl acetate 55.48
    2-ethylhexyl acetate 30.31
    1,2,4-trichlorobenzene 68.24
    4-methylpyridine 82.41
    dibutyl ether 28.0
    2,6-dimethyl-4-heptanol 14.55
    DEF 51.97
    dimethyl isosorbide 128.46
    tetrachloroethylene 150.58
    eugenol 54.53
    triacetin 61.59
    span 80 43.34
    1,4-butanediol 40.02
    1,1-dichloroethane 158.82
    2-methyl-1-pentanol 35.09
    methyl formate 47.39
    2-methyl-1-butanol 26.26
    n-decane 2.13
    butyronitrile 62.05
    3,7-dimethyl-1-octanol 16.35
    1-chlorooctane 10.18
    1-chlorotetradecane 5.34
    n-nonane 1.68
    undecane 1.71
    tert-butylcyclohexane 2.49
    cyclooctane 0.74
    cyclopentanol 29.33
    tetrahydropyran 139.64
    tert-amyl methyl ether 30.48
    2,5,8-trioxanonane 177.58
    1-hexene 7.28
    2-isopropoxyethanol 93.99
    2,2,2-trifluoroethanol 35.55
    methyl butyrate 68.8

    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