Carbonic acid, ethyl 2-phenylethyl ester

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  • Identifiers

    CAS number
    72928-40-6

    Molecular formula
    C11H14O3

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

  • Odor profile

    Fragrance
    Floral 85.72%
    Green 68.62%
    Rose 64.71%
    Balsamic 51.91%
    Sweet 45.1%
    Hyacinth 44.94%
    Fruity 44.23%
    Honey 42.99%
    Herbal 41.15%
    Fresh 39.3%

     

    Flavor
    Fruity 71.07%
    Floral 69.15%
    Rose 63.2%
    Balsam 55.21%
    Bitter 53.58%
    Honey 50.14%
    Sweet 45.77%
    Apricot 40.63%
    Hyacinth 38.35%
    Fruit 36.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.91 (neutral)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    279°C

    Flash point

    • 122.71 ˚C est.

  • Synonyms

    • Ethyl phenethyl carbonate
    • 72928-40-6
    • Carbonic acid, ethyl 2-phenylethyl ester
    • EINECS 277-071-1
    • DTXSID00888320
    • NSC 203411
    • ethyl 2-phenylethyl carbonate
    • SCHEMBL2023807
    • HPJTVWUFDOZSMI-UHFFFAOYSA-N
    • DTXCID501027600
    • NSC203411
    • AKOS006243109
    • NSC-203411
    • carbonic acid ethyl 2-phenylethyl ester
    • NS00060649
    • A838479

  • Applications

    Carbonic acid, ethyl 2-phenylethyl ester (CAS 72928-40-6) is typically used as a fragrance-related compound and solvent in perfumery, cosmetics, and some household products, taking advantage of the aromatic 2-phenylethyl moiety to contribute scent notes and formulation media. It also serves as an organic-synthesis intermediate and a carbonate-building block for specialty polymers, and may be used as a reactive diluent or processing aid in coatings and inks. In industrial manufacturing, this ester provides a starting point for carbonate chemistries, supporting polymer and resin formulations while remaining subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 579.66
    methanol 848.2
    isopropanol 317.44
    water 0.24
    ethyl acetate 738.19
    n-propanol 389.57
    acetone 1364.62
    n-butanol 316.04
    acetonitrile 966.0
    DMF 2332.79
    toluene 281.61
    isobutanol 249.32
    1,4-dioxane 937.19
    methyl acetate 627.99
    THF 1174.79
    2-butanone 836.22
    n-pentanol 271.82
    sec-butanol 310.73
    n-hexane 33.75
    ethylene glycol 79.33
    NMP 1514.64
    cyclohexane 31.87
    DMSO 3337.68
    n-butyl acetate 441.17
    n-octanol 90.1
    chloroform 2024.88
    n-propyl acetate 480.83
    acetic acid 822.59
    dichloromethane 2741.85
    cyclohexanone 988.03
    propylene glycol 109.77
    isopropyl acetate 367.57
    DMAc 1257.57
    2-ethoxyethanol 499.44
    isopentanol 258.79
    n-heptane 12.16
    ethyl formate 324.07
    1,2-dichloroethane 1934.01
    n-hexanol 185.71
    2-methoxyethanol 755.08
    isobutyl acetate 246.4
    tetrachloromethane 106.09
    n-pentyl acetate 216.97
    transcutol 1749.78
    n-heptanol 84.05
    ethylbenzene 153.44
    MIBK 327.65
    2-propoxyethanol 401.44
    tert-butanol 408.55
    MTBE 400.09
    2-butoxyethanol 213.47
    propionic acid 484.34
    o-xylene 150.07
    formic acid 249.81
    diethyl ether 624.31
    m-xylene 169.4
    p-xylene 186.54
    chlorobenzene 571.28
    dimethyl carbonate 323.45
    n-octane 7.16
    formamide 692.01
    cyclopentanone 1335.22
    2-pentanone 661.49
    anisole 439.25
    cyclopentyl methyl ether 532.49
    gamma-butyrolactone 1545.67
    1-methoxy-2-propanol 552.65
    pyridine 1052.3
    3-pentanone 503.6
    furfural 1045.35
    n-dodecane 7.9
    diethylene glycol 313.14
    diisopropyl ether 119.01
    tert-amyl alcohol 358.74
    acetylacetone 780.73
    n-hexadecane 9.39
    acetophenone 403.47
    methyl propionate 620.78
    isopentyl acetate 339.19
    trichloroethylene 2888.36
    n-nonanol 83.62
    cyclohexanol 282.35
    benzyl alcohol 288.97
    2-ethylhexanol 112.6
    isooctanol 76.43
    dipropyl ether 162.88
    1,2-dichlorobenzene 514.73
    ethyl lactate 179.17
    propylene carbonate 642.76
    n-methylformamide 902.18
    2-pentanol 218.36
    n-pentane 19.22
    1-propoxy-2-propanol 265.11
    1-methoxy-2-propyl acetate 370.17
    2-(2-methoxypropoxy) propanol 284.45
    mesitylene 100.08
    ε-caprolactone 787.99
    p-cymene 71.24
    epichlorohydrin 1875.22
    1,1,1-trichloroethane 827.58
    2-aminoethanol 217.74
    morpholine-4-carbaldehyde 1066.06
    sulfolane 2088.28
    2,2,4-trimethylpentane 17.91
    2-methyltetrahydrofuran 791.52
    n-hexyl acetate 304.84
    isooctane 12.83
    2-(2-butoxyethoxy)ethanol 405.82
    sec-butyl acetate 281.92
    tert-butyl acetate 406.51
    decalin 31.73
    glycerin 185.71
    diglyme 794.34
    acrylic acid 479.32
    isopropyl myristate 111.87
    n-butyric acid 552.19
    acetyl acetate 425.96
    di(2-ethylhexyl) phthalate 113.49
    ethyl propionate 394.39
    nitromethane 1976.95
    1,2-diethoxyethane 480.14
    benzonitrile 404.0
    trioctyl phosphate 75.09
    1-bromopropane 716.22
    gamma-valerolactone 1351.38
    n-decanol 63.63
    triethyl phosphate 144.37
    4-methyl-2-pentanol 114.77
    propionitrile 533.54
    vinylene carbonate 612.01
    1,1,2-trichlorotrifluoroethane 812.09
    DMS 365.72
    cumene 94.65
    2-octanol 64.58
    2-hexanone 436.18
    octyl acetate 147.34
    limonene 102.48
    1,2-dimethoxyethane 805.42
    ethyl orthosilicate 128.22
    tributyl phosphate 118.14
    diacetone alcohol 407.11
    N,N-dimethylaniline 251.5
    acrylonitrile 823.64
    aniline 393.31
    1,3-propanediol 302.61
    bromobenzene 661.83
    dibromomethane 1548.55
    1,1,2,2-tetrachloroethane 2103.28
    2-methyl-cyclohexyl acetate 219.77
    tetrabutyl urea 154.25
    diisobutyl methanol 71.35
    2-phenylethanol 222.72
    styrene 244.58
    dioctyl adipate 187.8
    dimethyl sulfate 640.32
    ethyl butyrate 286.27
    methyl lactate 255.27
    butyl lactate 181.63
    diethyl carbonate 221.19
    propanediol butyl ether 222.82
    triethyl orthoformate 179.44
    p-tert-butyltoluene 70.64
    methyl 4-tert-butylbenzoate 262.69
    morpholine 1192.14
    tert-butylamine 226.22
    n-dodecanol 49.59
    dimethoxymethane 876.55
    ethylene carbonate 469.41
    cyrene 291.33
    2-ethoxyethyl acetate 355.89
    2-ethylhexyl acetate 257.46
    1,2,4-trichlorobenzene 571.41
    4-methylpyridine 900.5
    dibutyl ether 174.51
    2,6-dimethyl-4-heptanol 71.35
    DEF 872.18
    dimethyl isosorbide 484.81
    tetrachloroethylene 1065.22
    eugenol 268.44
    triacetin 337.58
    span 80 229.18
    1,4-butanediol 131.81
    1,1-dichloroethane 1260.46
    2-methyl-1-pentanol 240.21
    methyl formate 536.81
    2-methyl-1-butanol 258.09
    n-decane 11.51
    butyronitrile 468.92
    3,7-dimethyl-1-octanol 101.48
    1-chlorooctane 74.49
    1-chlorotetradecane 32.77
    n-nonane 10.27
    undecane 9.33
    tert-butylcyclohexane 27.39
    cyclooctane 9.88
    cyclopentanol 330.38
    tetrahydropyran 816.1
    tert-amyl methyl ether 308.49
    2,5,8-trioxanonane 526.35
    1-hexene 186.33
    2-isopropoxyethanol 316.75
    2,2,2-trifluoroethanol 230.86
    methyl butyrate 542.13

    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