Ethyl 2-ethyl-3-phenylpropanoate

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  • Identifiers

    CAS number
    2983-36-0

    Molecular formula
    C13H18O2

    SMILES
    CCC(CC1=CC=CC=C1)C(=O)OCC

  • Odor profile

    Fragrance
    Fruity 91.57%
    Floral 73.29%
    Sweet 68.39%
    Green 56.77%
    Balsamic 46.43%
    Tropical 43.63%
    Berry 41.92%
    Spicy 40.45%
    Rose 40.06%
    Woody 38.35%

     

    Flavor
    Fruity 63.1%
    Floral 49.6%
    Rose 47.95%
    Waxy 47.85%
    Green 44.79%
    Sweet 44.24%
    Balsam 35.18%
    Tropical 34.94%
    Honey 31.89%
    Wine 31.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.35 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 72.00 °C. @ 0.09 mm Hg

    Flash point

    • 118.71 ˚C est.

    Solubility expt.

    • Soluble in oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 2-benzylbutanoate
    • Ethyl 2-benzylbutyrate
    • 2983-36-0
    • Ethyl 2-ethyl-3-phenylpropanoate
    • Ethyl 2-ethyldihydrocinnamate
    • Ethyl 2-ethylbenzenepropanoate
    • Ethyl alpha-ethylhydrocinnamate
    • FEMA No. 3341
    • Ethyl alpha-ethylbenzenepropanoate
    • UNII-339VVA8HGK
    • EINECS 221-042-8
    • 339VVA8HGK
    • Hydrocinnamic acid, alpha-ethyl-, ethyl ester
    • Benzenepropanoic acid, alpha-ethyl-, ethyl ester
    • Benzenepropanoic acid, .alpha.-ethyl-, ethyl ester
    • DTXSID30863069
    • ETHYL .ALPHA.-ETHYLHYDROCINNAMATE
    • ETHYL 2-ETHYL-3-PHENYLPROPIONATE
    • ETHYL .ALPHA.-ETHYLBENZENEPROPANOATE
    • ETHYL 2-ETHYL-3-PHENYLPROPANOATE [FHFI]
    • (+/-)-ETHYL 2-ETHYL-3-PHENYLPROPANOATE
    • HYDROCINNAMIC ACID, .ALPHA.-ETHYL-, ETHYL ESTER
    • ethyl 2-benzyl butyrate
    • SCHEMBL3504311
    • FEMA 3341
    • DTXCID10811745
    • CHEBI:186640
    • QDCUBAFTOOPBFR-UHFFFAOYSA-N
    • LMFA07010853
    • alpha-Ethylhydrocinnamic acid ethyl ester
    • Ethyl (+/-)-2-ethyl-3-phenylpropanoate
    • DB-254667
    • NS00048123
    • Q27256253
    • 221-042-8

  • Applications

    Ethyl 2-ethyl-3-phenylpropanoate is used primarily as a fragrance ingredient in perfumery, contributing to floral and woody notes; it is also encountered as a fragrance additive in cosmetics and personal care products. In household cleaning formulations, it may appear as an odorant to enhance the scent profile. In industrial manufacturing, the compound is commonly employed as an intermediate in organic synthesis to access related esters and other compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3779.35
    methanol 5573.66
    isopropanol 2478.52
    water 1.53
    ethyl acetate 3519.38
    n-propanol 2881.64
    acetone 5372.32
    n-butanol 2379.07
    acetonitrile 5963.09
    DMF 4941.73
    toluene 1187.51
    isobutanol 1999.91
    1,4-dioxane 3952.54
    methyl acetate 2769.98
    THF 2845.98
    2-butanone 3195.98
    n-pentanol 1518.26
    sec-butanol 1902.84
    n-hexane 185.46
    ethylene glycol 341.92
    NMP 2665.18
    cyclohexane 320.15
    DMSO 3745.32
    n-butyl acetate 2045.7
    n-octanol 552.01
    chloroform 9363.64
    n-propyl acetate 1843.72
    acetic acid 2592.68
    dichloromethane 10038.07
    cyclohexanone 3988.15
    propylene glycol 461.56
    isopropyl acetate 1620.71
    DMAc 2733.6
    2-ethoxyethanol 1602.53
    isopentanol 1761.97
    n-heptane 74.38
    ethyl formate 2320.18
    1,2-dichloroethane 6354.06
    n-hexanol 1241.54
    2-methoxyethanol 2468.3
    isobutyl acetate 961.51
    tetrachloromethane 758.07
    n-pentyl acetate 934.16
    transcutol 4117.28
    n-heptanol 461.56
    ethylbenzene 652.96
    MIBK 1155.94
    2-propoxyethanol 1608.31
    tert-butanol 2145.43
    MTBE 2115.47
    2-butoxyethanol 821.51
    propionic acid 1848.64
    o-xylene 576.78
    formic acid 626.43
    diethyl ether 2967.55
    m-xylene 625.46
    p-xylene 800.34
    chlorobenzene 2217.82
    dimethyl carbonate 827.31
    n-octane 45.86
    formamide 1341.12
    cyclopentanone 3314.14
    2-pentanone 2542.72
    anisole 1390.98
    cyclopentyl methyl ether 1426.8
    gamma-butyrolactone 3616.59
    1-methoxy-2-propanol 1542.32
    pyridine 4004.95
    3-pentanone 1719.87
    furfural 2820.97
    n-dodecane 44.5
    diethylene glycol 933.99
    diisopropyl ether 514.76
    tert-amyl alcohol 1654.72
    acetylacetone 2124.73
    n-hexadecane 52.03
    acetophenone 1210.92
    methyl propionate 1926.59
    isopentyl acetate 1472.91
    trichloroethylene 9682.86
    n-nonanol 454.42
    cyclohexanol 1625.93
    benzyl alcohol 1077.13
    2-ethylhexanol 609.08
    isooctanol 388.58
    dipropyl ether 783.07
    1,2-dichlorobenzene 1761.5
    ethyl lactate 540.15
    propylene carbonate 1961.98
    n-methylformamide 2634.75
    2-pentanol 1329.56
    n-pentane 136.06
    1-propoxy-2-propanol 1035.6
    1-methoxy-2-propyl acetate 1126.67
    2-(2-methoxypropoxy) propanol 656.46
    mesitylene 365.71
    ε-caprolactone 2700.27
    p-cymene 268.06
    epichlorohydrin 4511.3
    1,1,1-trichloroethane 3668.19
    2-aminoethanol 884.22
    morpholine-4-carbaldehyde 2316.41
    sulfolane 3026.34
    2,2,4-trimethylpentane 78.24
    2-methyltetrahydrofuran 2421.86
    n-hexyl acetate 1271.91
    isooctane 60.12
    2-(2-butoxyethoxy)ethanol 997.22
    sec-butyl acetate 1002.81
    tert-butyl acetate 1257.61
    decalin 146.32
    glycerin 519.07
    diglyme 2026.04
    acrylic acid 1441.44
    isopropyl myristate 388.58
    n-butyric acid 2869.22
    acetyl acetate 1519.79
    di(2-ethylhexyl) phthalate 323.64
    ethyl propionate 1358.42
    nitromethane 4761.75
    1,2-diethoxyethane 1666.09
    benzonitrile 1835.44
    trioctyl phosphate 247.41
    1-bromopropane 2924.0
    gamma-valerolactone 3555.85
    n-decanol 317.17
    triethyl phosphate 370.78
    4-methyl-2-pentanol 574.13
    propionitrile 3381.03
    vinylene carbonate 2046.17
    1,1,2-trichlorotrifluoroethane 2164.17
    DMS 927.2
    cumene 363.65
    2-octanol 345.88
    2-hexanone 1660.82
    octyl acetate 534.13
    limonene 403.94
    1,2-dimethoxyethane 2924.08
    ethyl orthosilicate 346.67
    tributyl phosphate 349.35
    diacetone alcohol 1077.36
    N,N-dimethylaniline 692.9
    acrylonitrile 3719.62
    aniline 1495.74
    1,3-propanediol 1375.07
    bromobenzene 2509.1
    dibromomethane 6067.83
    1,1,2,2-tetrachloroethane 6962.86
    2-methyl-cyclohexyl acetate 640.07
    tetrabutyl urea 432.86
    diisobutyl methanol 309.5
    2-phenylethanol 810.7
    styrene 1045.06
    dioctyl adipate 528.48
    dimethyl sulfate 1016.05
    ethyl butyrate 1131.84
    methyl lactate 597.81
    butyl lactate 630.3
    diethyl carbonate 766.18
    propanediol butyl ether 738.96
    triethyl orthoformate 614.17
    p-tert-butyltoluene 242.68
    methyl 4-tert-butylbenzoate 674.09
    morpholine 4297.61
    tert-butylamine 1307.74
    n-dodecanol 231.36
    dimethoxymethane 2145.61
    ethylene carbonate 1818.63
    cyrene 596.09
    2-ethoxyethyl acetate 1171.01
    2-ethylhexyl acetate 1036.6
    1,2,4-trichlorobenzene 1765.9
    4-methylpyridine 3667.12
    dibutyl ether 836.5
    2,6-dimethyl-4-heptanol 309.5
    DEF 2746.15
    dimethyl isosorbide 1014.63
    tetrachloroethylene 4003.43
    eugenol 703.7
    triacetin 896.54
    span 80 585.05
    1,4-butanediol 586.53
    1,1-dichloroethane 5645.61
    2-methyl-1-pentanol 1238.18
    methyl formate 1969.11
    2-methyl-1-butanol 1801.47
    n-decane 75.13
    butyronitrile 3439.98
    3,7-dimethyl-1-octanol 485.83
    1-chlorooctane 434.02
    1-chlorotetradecane 148.65
    n-nonane 71.46
    undecane 55.96
    tert-butylcyclohexane 126.26
    cyclooctane 69.21
    cyclopentanol 1379.74
    tetrahydropyran 3606.18
    tert-amyl methyl ether 1159.23
    2,5,8-trioxanonane 1137.13
    1-hexene 992.71
    2-isopropoxyethanol 1015.58
    2,2,2-trifluoroethanol 684.77
    methyl butyrate 2213.55

    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