2-Phenylethyl 2-ethylhexanoate

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  • Identifiers

    CAS number
    93776-92-2

    Molecular formula
    C16H24O2

    SMILES
    CCCCC(CC)C(=O)OCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 67.28%
    Floral 63.82%
    Herbal 56.99%
    Sweet 49.43%
    Woody 45.84%
    Rose 44.03%
    Green 43.61%
    Balsamic 43.46%
    Oily 35.53%
    Spicy 33.42%

     

    Flavor
    Green 71.47%
    Waxy 65.17%
    Fruity 64.23%
    Sweet 49.59%
    Floral 49.45%
    Rose 43.12%
    Tropical 39.55%
    Oily 35.81%
    Wine 33.21%
    Leaf 30.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.11 (neutral)

    Molecular weight
    248.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point

    • 138.22 ˚C est.

  • Synonyms

    • 2-Phenylethyl 2-ethylhexanoate
    • 93776-92-2
    • EINECS 298-019-4
    • SCHEMBL3776592
    • DTXSID20918092
    • DLUUSIFAGWCEES-UHFFFAOYSA-N
    • PHENYLETHYL 2-ETHYLHEXANOATE
    • NS00064119

  • Applications

    2-Phenylethyl 2-ethylhexanoate (CAS 93776-92-2) is primarily used as a fragrance ingredient and odorant in perfumery, often serving as a fixative to help stabilize floral notes; it is also employed as a cosmetic/personal care solvent and aroma component in creams, lotions, and fragrances; in household products it is used as a fragrance additive providing a rose-like aroma; in industrial manufacturing it may function as a formulation solvent or carrier for fragrance blends; and it can be an intermediate in the synthesis of other fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4911.23
    methanol 6252.55
    isopropanol 3008.92
    water 0.46
    ethyl acetate 6134.87
    n-propanol 3764.14
    acetone 8621.33
    n-butanol 3100.94
    acetonitrile 7503.16
    DMF 5586.98
    toluene 2003.87
    isobutanol 2523.54
    1,4-dioxane 5527.28
    methyl acetate 4378.64
    THF 4630.65
    2-butanone 5294.69
    n-pentanol 1612.78
    sec-butanol 2298.44
    n-hexane 246.65
    ethylene glycol 181.18
    NMP 3675.89
    cyclohexane 709.6
    DMSO 4889.68
    n-butyl acetate 3359.56
    n-octanol 558.27
    chloroform 11551.41
    n-propyl acetate 3141.65
    acetic acid 2835.55
    dichloromethane 15301.4
    cyclohexanone 7056.17
    propylene glycol 336.12
    isopropyl acetate 3053.84
    DMAc 3256.26
    2-ethoxyethanol 1886.39
    isopentanol 2261.58
    n-heptane 111.33
    ethyl formate 2895.04
    1,2-dichloroethane 10893.78
    n-hexanol 1381.18
    2-methoxyethanol 3070.13
    isobutyl acetate 1612.57
    tetrachloromethane 1141.16
    n-pentyl acetate 1668.19
    transcutol 6109.81
    n-heptanol 529.41
    ethylbenzene 893.47
    MIBK 1967.93
    2-propoxyethanol 2001.66
    tert-butanol 2516.65
    MTBE 3620.26
    2-butoxyethanol 1056.59
    propionic acid 2215.6
    o-xylene 883.51
    formic acid 534.53
    diethyl ether 6316.18
    m-xylene 978.18
    p-xylene 1140.58
    chlorobenzene 3485.75
    dimethyl carbonate 1027.65
    n-octane 59.4
    formamide 1378.07
    cyclopentanone 5689.72
    2-pentanone 4655.63
    anisole 1764.66
    cyclopentyl methyl ether 2786.11
    gamma-butyrolactone 5500.0
    1-methoxy-2-propanol 2012.55
    pyridine 5922.13
    3-pentanone 3123.31
    furfural 3471.81
    n-dodecane 48.95
    diethylene glycol 932.33
    diisopropyl ether 985.47
    tert-amyl alcohol 1904.56
    acetylacetone 3543.75
    n-hexadecane 60.19
    acetophenone 1609.57
    methyl propionate 3236.86
    isopentyl acetate 2410.48
    trichloroethylene 14241.92
    n-nonanol 478.54
    cyclohexanol 2561.66
    benzyl alcohol 1174.52
    2-ethylhexanol 775.14
    isooctanol 466.72
    dipropyl ether 1348.68
    1,2-dichlorobenzene 2667.79
    ethyl lactate 666.51
    propylene carbonate 2708.67
    n-methylformamide 3141.01
    2-pentanol 1802.11
    n-pentane 216.67
    1-propoxy-2-propanol 1428.42
    1-methoxy-2-propyl acetate 1851.15
    2-(2-methoxypropoxy) propanol 806.6
    mesitylene 588.03
    ε-caprolactone 4849.84
    p-cymene 376.85
    epichlorohydrin 7542.07
    1,1,1-trichloroethane 6056.69
    2-aminoethanol 732.04
    morpholine-4-carbaldehyde 2973.83
    sulfolane 4583.46
    2,2,4-trimethylpentane 112.64
    2-methyltetrahydrofuran 4455.31
    n-hexyl acetate 1796.32
    isooctane 87.69
    2-(2-butoxyethoxy)ethanol 1284.7
    sec-butyl acetate 1756.24
    tert-butyl acetate 2238.0
    decalin 224.89
    glycerin 371.89
    diglyme 2934.48
    acrylic acid 1514.28
    isopropyl myristate 552.81
    n-butyric acid 4225.05
    acetyl acetate 2416.42
    di(2-ethylhexyl) phthalate 411.73
    ethyl propionate 2376.81
    nitromethane 6512.83
    1,2-diethoxyethane 3135.27
    benzonitrile 2202.1
    trioctyl phosphate 303.37
    1-bromopropane 5383.74
    gamma-valerolactone 5973.46
    n-decanol 324.36
    triethyl phosphate 547.03
    4-methyl-2-pentanol 787.44
    propionitrile 4349.62
    vinylene carbonate 2591.49
    1,1,2-trichlorotrifluoroethane 2591.16
    DMS 1345.67
    cumene 482.09
    2-octanol 407.0
    2-hexanone 2595.55
    octyl acetate 723.24
    limonene 648.68
    1,2-dimethoxyethane 4021.49
    ethyl orthosilicate 518.77
    tributyl phosphate 452.16
    diacetone alcohol 1542.31
    N,N-dimethylaniline 861.76
    acrylonitrile 4352.3
    aniline 1974.31
    1,3-propanediol 1430.76
    bromobenzene 3878.76
    dibromomethane 9281.32
    1,1,2,2-tetrachloroethane 9841.35
    2-methyl-cyclohexyl acetate 992.64
    tetrabutyl urea 579.15
    diisobutyl methanol 413.1
    2-phenylethanol 1027.6
    styrene 1410.06
    dioctyl adipate 734.24
    dimethyl sulfate 1247.15
    ethyl butyrate 1947.8
    methyl lactate 733.27
    butyl lactate 904.64
    diethyl carbonate 1110.94
    propanediol butyl ether 774.23
    triethyl orthoformate 962.4
    p-tert-butyltoluene 329.24
    methyl 4-tert-butylbenzoate 902.09
    morpholine 6420.45
    tert-butylamine 1567.07
    n-dodecanol 238.06
    dimethoxymethane 3206.65
    ethylene carbonate 2502.32
    cyrene 727.36
    2-ethoxyethyl acetate 2019.65
    2-ethylhexyl acetate 1690.23
    1,2,4-trichlorobenzene 2616.43
    4-methylpyridine 5242.03
    dibutyl ether 1318.06
    2,6-dimethyl-4-heptanol 413.1
    DEF 4202.94
    dimethyl isosorbide 1440.15
    tetrachloroethylene 5784.41
    eugenol 868.2
    triacetin 1247.6
    span 80 724.55
    1,4-butanediol 502.87
    1,1-dichloroethane 9541.62
    2-methyl-1-pentanol 1392.49
    methyl formate 2117.49
    2-methyl-1-butanol 2232.81
    n-decane 87.5
    butyronitrile 4703.64
    3,7-dimethyl-1-octanol 560.93
    1-chlorooctane 558.97
    1-chlorotetradecane 184.55
    n-nonane 83.5
    undecane 62.48
    tert-butylcyclohexane 174.75
    cyclooctane 130.14
    cyclopentanol 2018.73
    tetrahydropyran 7479.57
    tert-amyl methyl ether 1739.05
    2,5,8-trioxanonane 1551.88
    1-hexene 1364.87
    2-isopropoxyethanol 1240.01
    2,2,2-trifluoroethanol 685.89
    methyl butyrate 3667.94

    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