Ethyl 2-phenylhexanoate

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  • Identifiers

    CAS number
    2901-28-2

    Molecular formula
    C14H20O2

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

  • Odor profile

    Fragrance
    Fruity 84.42%
    Sweet 71.67%
    Floral 67.72%
    Green 65.15%
    Balsamic 50.29%
    Rose 46.07%
    Honey 45.77%
    Herbal 42.75%
    Waxy 37.15%
    Winey 36.85%

     

    Flavor
    Waxy 59.18%
    Green 55.36%
    Fruity 52.99%
    Sweet 47.05%
    Floral 46.29%
    Rose 40.47%
    Tropical 34.91%
    Honey 33.19%
    Oily 31.97%
    Balsam 31.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.53 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 125.61 ˚C est.

  • Synonyms

    • 2901-28-2
    • ethyl 2-phenylhexanoate
    • NSC82225
    • Benzeneacetic acid,a-butyl-,ethyl ester
    • NCIOpen2_004358
    • SCHEMBL4206097
    • DTXSID60292388
    • 2-phenyl-hexanoic acid ethyl ester
    • NSC-82225

  • Applications

    Ethyl 2-phenylhexanoate is primarily used as a fragrance ingredient in perfumery and cosmetics, providing fruity-floral notes and can function as a fixative in fragrance systems. It is also considered an aroma/flavor ingredient in flavor formulations for foods and beverages, subject to local regulations. In household products, it serves as a fragrance component in air fresheners and cleaners. In industrial manufacturing, it can act as an intermediate in the synthesis of other fragrance compounds and may be used in coatings, paints, and inks to impart a mild odor. Applications are subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7113.11
    methanol 9140.24
    isopropanol 4917.19
    water 0.88
    ethyl acetate 4141.18
    n-propanol 5534.21
    acetone 7069.97
    n-butanol 4875.86
    acetonitrile 5931.1
    DMF 9013.32
    toluene 1925.39
    isobutanol 4106.74
    1,4-dioxane 5129.37
    methyl acetate 3166.92
    THF 4659.98
    2-butanone 4079.91
    n-pentanol 2446.99
    sec-butanol 3567.24
    n-hexane 273.49
    ethylene glycol 658.21
    NMP 4794.08
    cyclohexane 791.99
    DMSO 5265.02
    n-butyl acetate 2627.25
    n-octanol 680.81
    chloroform 10893.77
    n-propyl acetate 1967.11
    acetic acid 3490.52
    dichloromethane 11490.14
    cyclohexanone 6638.08
    propylene glycol 936.12
    isopropyl acetate 2211.88
    DMAc 4221.19
    2-ethoxyethanol 2052.86
    isopentanol 3123.7
    n-heptane 107.05
    ethyl formate 2818.2
    1,2-dichloroethane 8735.6
    n-hexanol 2188.64
    2-methoxyethanol 4170.23
    isobutyl acetate 1106.68
    tetrachloromethane 979.58
    n-pentyl acetate 1160.11
    transcutol 4441.94
    n-heptanol 657.83
    ethylbenzene 817.31
    MIBK 1559.18
    2-propoxyethanol 2522.68
    tert-butanol 3386.09
    MTBE 2761.44
    2-butoxyethanol 1121.69
    propionic acid 2643.05
    o-xylene 773.37
    formic acid 850.89
    diethyl ether 4178.81
    m-xylene 866.13
    p-xylene 940.56
    chlorobenzene 3310.09
    dimethyl carbonate 1100.99
    n-octane 56.98
    formamide 1742.1
    cyclopentanone 5120.0
    2-pentanone 3723.9
    anisole 1640.3
    cyclopentyl methyl ether 2420.94
    gamma-butyrolactone 4908.5
    1-methoxy-2-propanol 2776.31
    pyridine 6272.38
    3-pentanone 2391.37
    furfural 3840.72
    n-dodecane 53.27
    diethylene glycol 1463.39
    diisopropyl ether 725.62
    tert-amyl alcohol 2465.11
    acetylacetone 2749.08
    n-hexadecane 62.08
    acetophenone 1411.71
    methyl propionate 2705.16
    isopentyl acetate 1932.69
    trichloroethylene 12396.82
    n-nonanol 566.47
    cyclohexanol 3616.26
    benzyl alcohol 1437.77
    2-ethylhexanol 933.99
    isooctanol 510.93
    dipropyl ether 1132.09
    1,2-dichlorobenzene 2291.54
    ethyl lactate 634.49
    propylene carbonate 2809.41
    n-methylformamide 3944.48
    2-pentanol 2574.81
    n-pentane 275.61
    1-propoxy-2-propanol 1548.88
    1-methoxy-2-propyl acetate 1490.12
    2-(2-methoxypropoxy) propanol 730.65
    mesitylene 479.86
    ε-caprolactone 4204.0
    p-cymene 332.92
    epichlorohydrin 6772.87
    1,1,1-trichloroethane 4994.14
    2-aminoethanol 1800.42
    morpholine-4-carbaldehyde 3488.54
    sulfolane 4341.68
    2,2,4-trimethylpentane 110.11
    2-methyltetrahydrofuran 3789.84
    n-hexyl acetate 1515.51
    isooctane 85.2
    2-(2-butoxyethoxy)ethanol 1227.15
    sec-butyl acetate 1123.67
    tert-butyl acetate 1616.37
    decalin 223.94
    glycerin 904.89
    diglyme 2504.2
    acrylic acid 2067.31
    isopropyl myristate 486.7
    n-butyric acid 4690.66
    acetyl acetate 1825.46
    di(2-ethylhexyl) phthalate 390.39
    ethyl propionate 1562.46
    nitromethane 5395.58
    1,2-diethoxyethane 1995.41
    benzonitrile 2273.69
    trioctyl phosphate 310.24
    1-bromopropane 4324.9
    gamma-valerolactone 5568.92
    n-decanol 393.32
    triethyl phosphate 429.63
    4-methyl-2-pentanol 848.59
    propionitrile 4244.49
    vinylene carbonate 2802.66
    1,1,2-trichlorotrifluoroethane 3148.67
    DMS 1127.07
    cumene 429.52
    2-octanol 465.15
    2-hexanone 1926.27
    octyl acetate 663.43
    limonene 611.18
    1,2-dimethoxyethane 3642.85
    ethyl orthosilicate 411.36
    tributyl phosphate 415.81
    diacetone alcohol 1452.75
    N,N-dimethylaniline 838.92
    acrylonitrile 4457.43
    aniline 2467.28
    1,3-propanediol 2646.16
    bromobenzene 3533.54
    dibromomethane 7228.66
    1,1,2,2-tetrachloroethane 9315.36
    2-methyl-cyclohexyl acetate 783.77
    tetrabutyl urea 566.94
    diisobutyl methanol 413.36
    2-phenylethanol 1223.13
    styrene 1376.28
    dioctyl adipate 643.61
    dimethyl sulfate 1291.3
    ethyl butyrate 1352.73
    methyl lactate 929.73
    butyl lactate 812.14
    diethyl carbonate 842.83
    propanediol butyl ether 935.12
    triethyl orthoformate 726.46
    p-tert-butyltoluene 301.83
    methyl 4-tert-butylbenzoate 786.49
    morpholine 6846.01
    tert-butylamine 2064.68
    n-dodecanol 286.92
    dimethoxymethane 3501.39
    ethylene carbonate 2631.06
    cyrene 715.46
    2-ethoxyethyl acetate 1413.08
    2-ethylhexyl acetate 1365.85
    1,2,4-trichlorobenzene 2369.99
    4-methylpyridine 5770.93
    dibutyl ether 973.12
    2,6-dimethyl-4-heptanol 413.36
    DEF 4455.25
    dimethyl isosorbide 1200.97
    tetrachloroethylene 5495.37
    eugenol 800.49
    triacetin 965.88
    span 80 751.77
    1,4-butanediol 929.9
    1,1-dichloroethane 7586.9
    2-methyl-1-pentanol 1829.98
    methyl formate 2666.11
    2-methyl-1-butanol 3322.26
    n-decane 89.48
    butyronitrile 4777.66
    3,7-dimethyl-1-octanol 626.51
    1-chlorooctane 534.55
    1-chlorotetradecane 182.84
    n-nonane 82.61
    undecane 66.49
    tert-butylcyclohexane 169.52
    cyclooctane 134.76
    cyclopentanol 2926.03
    tetrahydropyran 6576.88
    tert-amyl methyl ether 1491.12
    2,5,8-trioxanonane 1376.65
    1-hexene 1400.97
    2-isopropoxyethanol 1256.19
    2,2,2-trifluoroethanol 861.31
    methyl butyrate 2583.7

    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