2-Phenylethyl methoxyacetate

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  • Identifiers

    CAS number
    84682-19-9

    Molecular formula
    C11H14O3

    SMILES
    COCC(=O)OCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Rose 63.35%
    Floral 62.32%
    Honey 61.47%
    Sweet 57.28%
    Green 54.16%
    Fruity 50.68%
    Balsamic 39.67%
    Hyacinth 39.55%
    Spicy 33.58%
    Waxy 30.53%

     

    Flavor
    Floral 75.78%
    Fruity 68.4%
    Sweet 63.82%
    Rose 62.35%
    Honey 56.78%
    Balsam 48.89%
    Bitter 48.85%
    Chocolate 40.26%
    Hyacinth 38.28%
    Apricot 36.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.13 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    274°C

    Flash point

    • 127.27 ˚C est.

  • Synonyms

    • 2-Phenylethyl methoxyacetate
    • 84682-19-9
    • RV6TFZ578J
    • EINECS 283-581-5
    • Methoxyacetic acid, 2-phenylethyl ester
    • Acetic acid, methoxy-, 2-phenylethyl ester
    • UNII-RV6TFZ578J
    • DTXSID50233669
    • 2-Phenylethyl methoxyacetate #
    • SCHEMBL7164706
    • DTXCID30156160
    • NS00038605
    • 283-581-5

  • Applications

    2-Phenylethyl methoxyacetate (CAS 84682-19-9) is an aroma compound with a phenethyl moiety, used primarily as a fragrance ingredient and odorant in perfumery. It is also evaluated for application in cosmetics and personal care as a fragrance component, and is present in household products such as air fresheners, surface cleaners, and other scented formulations. In addition, the compound may be used as an intermediate in fragrance synthesis for industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 400.34
    methanol 637.55
    isopropanol 163.29
    water 1.69
    ethyl acetate 336.19
    n-propanol 242.38
    acetone 314.75
    n-butanol 166.02
    acetonitrile 369.54
    DMF 478.87
    toluene 68.67
    isobutanol 127.57
    1,4-dioxane 574.79
    methyl acetate 253.74
    THF 363.17
    2-butanone 196.77
    n-pentanol 113.87
    sec-butanol 143.69
    n-hexane 4.45
    ethylene glycol 199.47
    NMP 283.64
    cyclohexane 18.88
    DMSO 1291.76
    n-butyl acetate 110.62
    n-octanol 29.79
    chloroform 870.31
    n-propyl acetate 131.16
    acetic acid 695.64
    dichloromethane 1023.74
    cyclohexanone 300.97
    propylene glycol 213.89
    isopropyl acetate 103.78
    DMAc 336.05
    2-ethoxyethanol 406.15
    isopentanol 107.74
    n-heptane 5.32
    ethyl formate 176.4
    1,2-dichloroethane 749.01
    n-hexanol 81.41
    2-methoxyethanol 695.6
    isobutyl acetate 66.44
    tetrachloromethane 50.91
    n-pentyl acetate 43.6
    transcutol 1042.23
    n-heptanol 29.78
    ethylbenzene 38.08
    MIBK 87.79
    2-propoxyethanol 206.44
    tert-butanol 208.67
    MTBE 85.88
    2-butoxyethanol 99.13
    propionic acid 298.25
    o-xylene 53.5
    formic acid 421.63
    diethyl ether 155.62
    m-xylene 49.07
    p-xylene 46.01
    chlorobenzene 145.77
    dimethyl carbonate 96.57
    n-octane 2.25
    formamide 697.16
    cyclopentanone 320.0
    2-pentanone 149.38
    anisole 124.52
    cyclopentyl methyl ether 154.07
    gamma-butyrolactone 449.98
    1-methoxy-2-propanol 332.86
    pyridine 352.48
    3-pentanone 129.02
    furfural 428.62
    n-dodecane 2.27
    diethylene glycol 299.37
    diisopropyl ether 25.94
    tert-amyl alcohol 147.02
    acetylacetone 226.2
    n-hexadecane 2.63
    acetophenone 122.59
    methyl propionate 222.84
    isopentyl acetate 87.35
    trichloroethylene 1087.63
    n-nonanol 28.54
    cyclohexanol 172.63
    benzyl alcohol 123.94
    2-ethylhexanol 46.99
    isooctanol 26.72
    dipropyl ether 55.2
    1,2-dichlorobenzene 147.34
    ethyl lactate 89.39
    propylene carbonate 211.16
    n-methylformamide 345.72
    2-pentanol 83.9
    n-pentane 4.54
    1-propoxy-2-propanol 120.83
    1-methoxy-2-propyl acetate 140.25
    2-(2-methoxypropoxy) propanol 139.9
    mesitylene 31.56
    ε-caprolactone 249.62
    p-cymene 27.73
    epichlorohydrin 635.29
    1,1,1-trichloroethane 306.45
    2-aminoethanol 313.58
    morpholine-4-carbaldehyde 378.06
    sulfolane 570.92
    2,2,4-trimethylpentane 4.81
    2-methyltetrahydrofuran 237.58
    n-hexyl acetate 66.28
    isooctane 3.47
    2-(2-butoxyethoxy)ethanol 193.05
    sec-butyl acetate 70.57
    tert-butyl acetate 108.62
    decalin 8.53
    glycerin 335.0
    diglyme 411.94
    acrylic acid 286.86
    isopropyl myristate 29.29
    n-butyric acid 297.29
    acetyl acetate 187.32
    di(2-ethylhexyl) phthalate 40.46
    ethyl propionate 125.86
    nitromethane 1105.19
    1,2-diethoxyethane 175.79
    benzonitrile 131.2
    trioctyl phosphate 25.26
    1-bromopropane 196.49
    gamma-valerolactone 417.75
    n-decanol 22.31
    triethyl phosphate 60.31
    4-methyl-2-pentanol 39.49
    propionitrile 191.07
    vinylene carbonate 215.3
    1,1,2-trichlorotrifluoroethane 519.65
    DMS 111.52
    cumene 27.65
    2-octanol 17.41
    2-hexanone 97.93
    octyl acetate 36.89
    limonene 41.34
    1,2-dimethoxyethane 399.53
    ethyl orthosilicate 54.28
    tributyl phosphate 38.95
    diacetone alcohol 158.5
    N,N-dimethylaniline 74.43
    acrylonitrile 289.83
    aniline 152.62
    1,3-propanediol 366.56
    bromobenzene 139.3
    dibromomethane 568.88
    1,1,2,2-tetrachloroethane 852.5
    2-methyl-cyclohexyl acetate 79.55
    tetrabutyl urea 50.49
    diisobutyl methanol 29.9
    2-phenylethanol 90.7
    styrene 54.34
    dioctyl adipate 63.32
    dimethyl sulfate 181.91
    ethyl butyrate 96.53
    methyl lactate 138.31
    butyl lactate 57.69
    diethyl carbonate 85.96
    propanediol butyl ether 103.98
    triethyl orthoformate 73.87
    p-tert-butyltoluene 25.28
    methyl 4-tert-butylbenzoate 93.34
    morpholine 669.04
    tert-butylamine 91.65
    n-dodecanol 17.8
    dimethoxymethane 282.97
    ethylene carbonate 182.25
    cyrene 140.25
    2-ethoxyethyl acetate 102.24
    2-ethylhexyl acetate 66.07
    1,2,4-trichlorobenzene 183.7
    4-methylpyridine 205.4
    dibutyl ether 43.47
    2,6-dimethyl-4-heptanol 29.9
    DEF 221.65
    dimethyl isosorbide 212.05
    tetrachloroethylene 482.45
    eugenol 102.12
    triacetin 117.47
    span 80 99.43
    1,4-butanediol 132.08
    1,1-dichloroethane 415.88
    2-methyl-1-pentanol 87.9
    methyl formate 248.05
    2-methyl-1-butanol 110.04
    n-decane 3.52
    butyronitrile 151.79
    3,7-dimethyl-1-octanol 37.22
    1-chlorooctane 21.41
    1-chlorotetradecane 9.0
    n-nonane 3.17
    undecane 2.72
    tert-butylcyclohexane 6.8
    cyclooctane 5.24
    cyclopentanol 149.2
    tetrahydropyran 329.26
    tert-amyl methyl ether 69.4
    2,5,8-trioxanonane 290.28
    1-hexene 26.47
    2-isopropoxyethanol 184.31
    2,2,2-trifluoroethanol 222.1
    methyl butyrate 162.65

    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