Phenethyl 2-ethylbutanoate

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  • Identifiers

    CAS number
    6315-04-4

    Molecular formula
    C14H20O2

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

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 86.12%
    Floral 66.59%
    Sweet 58.8%
    Green 46.65%
    Rose 44.96%
    Herbal 43.83%
    Woody 39.69%
    Apple 38.96%
    Balsamic 38.85%
    Tropical 37.45%

     

    Flavor
    Fruity 62.88%
    Green 57.91%
    Waxy 57.14%
    Rose 54.17%
    Floral 53.34%
    Sweet 50.11%
    Tropical 38.97%
    Honey 36.83%
    Balsam 32.72%
    Wine 32.34%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.35 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    280°C

    Flash point

    • 127.4 ˚C est.

  • Synonyms

    • 2-Phenylethyl 2-ethylbutyrate
    • 2-phenylethyl 2-ethylbutanoate
    • 6315-04-4
    • phenethyl 2-ethylbutanoate
    • Phenethyl 2-ethylbutyrate
    • BAJ002YBN2
    • Butanoic acid, 2-ethyl-, 2-phenylethyl ester
    • Diethylacetic acid, phenylethyl ester
    • NSC-20052
    • DTXSID3064225
    • EINECS 228-643-4
    • NSC 20052
    • phenethyl diethylacetate
    • UNII-BAJ002YBN2
    • SCHEMBL585944
    • DTXCID8043731
    • NSC20052
    • 2-Ethylbutyric acid, phenethyl ester
    • AKOS017182082
    • NS00013115

  • Applications

    Phenethyl 2-ethylbutanoate (CAS 6315-04-4) is primarily used as a fragrance ingredient in perfumery, imparting fruity-floral notes, and is commonly employed as a fragrance additive in cosmetics and personal care products. It can also function as a fragrance component in household products such as cleaners and air fresheners. In flavor and aroma formulations, it may be evaluated for use as a flavor or aroma compound where permitted by regulations. It may serve as an intermediate in organic synthesis for the preparation of related esters and other fragrance materials used in industrial manufacturing. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1423.06
    methanol 2004.57
    isopropanol 1016.45
    water 0.78
    ethyl acetate 2603.81
    n-propanol 1228.84
    acetone 3748.82
    n-butanol 1172.44
    acetonitrile 4099.78
    DMF 2889.84
    toluene 1089.93
    isobutanol 938.49
    1,4-dioxane 3279.0
    methyl acetate 2207.65
    THF 2814.02
    2-butanone 2594.35
    n-pentanol 732.08
    sec-butanol 915.24
    n-hexane 248.7
    ethylene glycol 94.19
    NMP 2441.34
    cyclohexane 492.43
    DMSO 2534.15
    n-butyl acetate 1788.49
    n-octanol 325.72
    chloroform 8195.17
    n-propyl acetate 1630.47
    acetic acid 1751.6
    dichloromethane 9618.86
    cyclohexanone 3805.72
    propylene glycol 159.34
    isopropyl acetate 1334.85
    DMAc 1827.76
    2-ethoxyethanol 1018.49
    isopentanol 1005.97
    n-heptane 94.45
    ethyl formate 1348.51
    1,2-dichloroethane 6901.2
    n-hexanol 657.48
    2-methoxyethanol 1406.9
    isobutyl acetate 864.7
    tetrachloromethane 866.54
    n-pentyl acetate 912.6
    transcutol 3688.14
    n-heptanol 304.55
    ethylbenzene 592.69
    MIBK 1021.75
    2-propoxyethanol 1052.34
    tert-butanol 1163.77
    MTBE 1629.33
    2-butoxyethanol 610.63
    propionic acid 1240.7
    o-xylene 552.23
    formic acid 374.44
    diethyl ether 2800.19
    m-xylene 604.78
    p-xylene 779.48
    chlorobenzene 2433.05
    dimethyl carbonate 621.97
    n-octane 48.71
    formamide 942.41
    cyclopentanone 3399.16
    2-pentanone 2111.51
    anisole 1168.69
    cyclopentyl methyl ether 1537.7
    gamma-butyrolactone 3585.0
    1-methoxy-2-propanol 965.79
    pyridine 3092.57
    3-pentanone 1671.44
    furfural 2458.51
    n-dodecane 38.52
    diethylene glycol 557.34
    diisopropyl ether 518.9
    tert-amyl alcohol 932.18
    acetylacetone 1960.64
    n-hexadecane 46.58
    acetophenone 1055.92
    methyl propionate 1575.33
    isopentyl acetate 1308.98
    trichloroethylene 8973.35
    n-nonanol 297.89
    cyclohexanol 1275.19
    benzyl alcohol 726.68
    2-ethylhexanol 432.27
    isooctanol 283.97
    dipropyl ether 792.11
    1,2-dichlorobenzene 2035.42
    ethyl lactate 428.26
    propylene carbonate 1792.78
    n-methylformamide 1715.02
    2-pentanol 747.6
    n-pentane 170.25
    1-propoxy-2-propanol 811.38
    1-methoxy-2-propyl acetate 1048.57
    2-(2-methoxypropoxy) propanol 544.21
    mesitylene 387.16
    ε-caprolactone 2689.18
    p-cymene 250.06
    epichlorohydrin 4419.94
    1,1,1-trichloroethane 4100.86
    2-aminoethanol 348.06
    morpholine-4-carbaldehyde 1983.95
    sulfolane 3178.95
    2,2,4-trimethylpentane 86.47
    2-methyltetrahydrofuran 2362.26
    n-hexyl acetate 1078.3
    isooctane 69.14
    2-(2-butoxyethoxy)ethanol 826.26
    sec-butyl acetate 906.72
    tert-butyl acetate 1198.4
    decalin 173.99
    glycerin 225.32
    diglyme 1825.07
    acrylic acid 1004.24
    isopropyl myristate 372.25
    n-butyric acid 1918.01
    acetyl acetate 1325.86
    di(2-ethylhexyl) phthalate 279.39
    ethyl propionate 1275.08
    nitromethane 3837.03
    1,2-diethoxyethane 1833.5
    benzonitrile 1415.74
    trioctyl phosphate 209.66
    1-bromopropane 3153.31
    gamma-valerolactone 3320.64
    n-decanol 215.23
    triethyl phosphate 399.42
    4-methyl-2-pentanol 389.71
    propionitrile 2269.52
    vinylene carbonate 1714.97
    1,1,2-trichlorotrifluoroethane 1756.86
    DMS 919.66
    cumene 348.73
    2-octanol 243.81
    2-hexanone 1412.26
    octyl acetate 477.03
    limonene 394.88
    1,2-dimethoxyethane 2276.53
    ethyl orthosilicate 371.5
    tributyl phosphate 327.95
    diacetone alcohol 883.49
    N,N-dimethylaniline 612.78
    acrylonitrile 2513.22
    aniline 1138.45
    1,3-propanediol 629.16
    bromobenzene 2838.32
    dibromomethane 6091.79
    1,1,2,2-tetrachloroethane 6929.41
    2-methyl-cyclohexyl acetate 652.49
    tetrabutyl urea 397.68
    diisobutyl methanol 251.7
    2-phenylethanol 610.8
    styrene 897.45
    dioctyl adipate 493.1
    dimethyl sulfate 878.59
    ethyl butyrate 1089.89
    methyl lactate 445.36
    butyl lactate 544.56
    diethyl carbonate 745.98
    propanediol butyl ether 457.8
    triethyl orthoformate 641.35
    p-tert-butyltoluene 225.56
    methyl 4-tert-butylbenzoate 617.77
    morpholine 3241.34
    tert-butylamine 821.18
    n-dodecanol 161.99
    dimethoxymethane 1599.12
    ethylene carbonate 1539.45
    cyrene 531.89
    2-ethoxyethyl acetate 1142.54
    2-ethylhexyl acetate 1006.59
    1,2,4-trichlorobenzene 1926.03
    4-methylpyridine 2799.92
    dibutyl ether 789.42
    2,6-dimethyl-4-heptanol 251.7
    DEF 2111.25
    dimethyl isosorbide 1071.4
    tetrachloroethylene 3959.0
    eugenol 595.96
    triacetin 822.7
    span 80 494.91
    1,4-butanediol 272.08
    1,1-dichloroethane 5540.7
    2-methyl-1-pentanol 728.71
    methyl formate 1231.63
    2-methyl-1-butanol 945.9
    n-decane 65.27
    butyronitrile 2178.72
    3,7-dimethyl-1-octanol 345.7
    1-chlorooctane 376.29
    1-chlorotetradecane 136.03
    n-nonane 63.93
    undecane 48.18
    tert-butylcyclohexane 140.85
    cyclooctane 111.13
    cyclopentanol 1061.39
    tetrahydropyran 3378.73
    tert-amyl methyl ether 949.06
    2,5,8-trioxanonane 1026.46
    1-hexene 914.27
    2-isopropoxyethanol 679.26
    2,2,2-trifluoroethanol 536.11
    methyl butyrate 1886.96

    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