3-(4-Ethylphenyl)propanal

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  • Identifiers

    CAS number
    104175-15-7

    Molecular formula
    C11H14O

    SMILES
    CCC1=CC=C(C=C1)CCC=O

    Safety labels

  • Odor profile

    Fragrance
    Green 87.47%
    Floral 79.02%
    Fresh 64.64%
    Aldehydic 54.93%
    Sweet 51.37%
    Melon 49.22%
    Hyacinth 45.75%
    Fruity 44.36%
    Leafy 41.05%
    Cortex 40.13%

     

    Flavor
    Green 86.54%
    Fresh 64.01%
    Leaf 47.85%
    Hyacinth 47.11%
    Floral 43.93%
    Spicy 43.8%
    Balsam 43.3%
    Sweet 41.06%
    Fatty 40.78%
    Bitter 36.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.78 (neutral)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 112.24 ˚C est.

  • Synonyms

    • 3-(4-ethylphenyl)propanal
    • 104175-15-7
    • 3-(4-ETHYL-PHENYL)-PROPIONALDEHYDE
    • Benzenepropanal, 4-ethyl-
    • SCHEMBL910426
    • SCHEMBL910428
    • SCHEMBL27663806
    • DTXSID90591432
    • EEA17515
    • AKOS010077098
    • DB-365518
    • EN300-131227
    • G55166
    • Z993017820
    • 104175-15-7

  • Applications

    3-(4-Ethylphenyl)propanal is primarily used as an aroma chemical and synthetic building block in fragrance chemistry. In perfumery it functions as an odorant and a precursor to more complex scent notes; in cosmetics/personal care and household products it is employed as a fragrance ingredient to impart floral or woody characteristics. It may also be applied in coatings and packaging inks as a fragrance additive for surface finishes. In industrial manufacturing it is evaluated as an intermediate for the synthesis of other aroma compounds, with use governed by regulatory limits. Its deployment is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 903.88
    methanol 834.56
    isopropanol 512.97
    water 0.16
    ethyl acetate 1808.05
    n-propanol 657.04
    acetone 1119.5
    n-butanol 500.75
    acetonitrile 1329.78
    DMF 900.93
    toluene 495.7
    isobutanol 330.44
    1,4-dioxane 1941.89
    methyl acetate 1146.3
    THF 1032.52
    2-butanone 1012.87
    n-pentanol 332.08
    sec-butanol 319.25
    n-hexane 58.47
    ethylene glycol 104.14
    NMP 391.51
    cyclohexane 79.81
    DMSO 951.4
    n-butyl acetate 872.37
    n-octanol 85.2
    chloroform 2416.3
    n-propyl acetate 730.13
    acetic acid 441.92
    dichloromethane 2908.35
    cyclohexanone 1024.58
    propylene glycol 135.63
    isopropyl acetate 679.93
    DMAc 588.73
    2-ethoxyethanol 562.88
    isopentanol 369.63
    n-heptane 38.66
    ethyl formate 579.88
    1,2-dichloroethane 2228.98
    n-hexanol 411.98
    2-methoxyethanol 874.9
    isobutyl acetate 376.33
    tetrachloromethane 237.54
    n-pentyl acetate 238.45
    transcutol 2176.8
    n-heptanol 103.48
    ethylbenzene 219.04
    MIBK 368.23
    2-propoxyethanol 680.02
    tert-butanol 550.65
    MTBE 644.82
    2-butoxyethanol 241.8
    propionic acid 479.49
    o-xylene 193.47
    formic acid 111.92
    diethyl ether 1467.74
    m-xylene 243.32
    p-xylene 213.32
    chlorobenzene 613.61
    dimethyl carbonate 246.48
    n-octane 14.58
    formamide 282.96
    cyclopentanone 893.47
    2-pentanone 837.37
    anisole 506.78
    cyclopentyl methyl ether 544.12
    gamma-butyrolactone 991.73
    1-methoxy-2-propanol 551.72
    pyridine 1368.54
    3-pentanone 638.62
    furfural 789.86
    n-dodecane 11.32
    diethylene glycol 374.51
    diisopropyl ether 213.84
    tert-amyl alcohol 315.78
    acetylacetone 768.57
    n-hexadecane 13.45
    acetophenone 358.13
    methyl propionate 911.25
    isopentyl acetate 603.58
    trichloroethylene 2895.71
    n-nonanol 82.93
    cyclohexanol 321.1
    benzyl alcohol 301.25
    2-ethylhexanol 227.66
    isooctanol 87.72
    dipropyl ether 483.65
    1,2-dichlorobenzene 462.57
    ethyl lactate 162.92
    propylene carbonate 539.81
    n-methylformamide 529.41
    2-pentanol 289.5
    n-pentane 41.73
    1-propoxy-2-propanol 448.16
    1-methoxy-2-propyl acetate 640.62
    2-(2-methoxypropoxy) propanol 258.15
    mesitylene 125.05
    ε-caprolactone 807.76
    p-cymene 99.58
    epichlorohydrin 1623.76
    1,1,1-trichloroethane 1282.29
    2-aminoethanol 252.94
    morpholine-4-carbaldehyde 763.38
    sulfolane 757.67
    2,2,4-trimethylpentane 20.61
    2-methyltetrahydrofuran 874.28
    n-hexyl acetate 272.57
    isooctane 20.24
    2-(2-butoxyethoxy)ethanol 369.43
    sec-butyl acetate 405.63
    tert-butyl acetate 537.86
    decalin 47.66
    glycerin 165.87
    diglyme 848.77
    acrylic acid 321.67
    isopropyl myristate 118.57
    n-butyric acid 712.85
    acetyl acetate 611.14
    di(2-ethylhexyl) phthalate 98.38
    ethyl propionate 603.78
    nitromethane 1074.23
    1,2-diethoxyethane 959.58
    benzonitrile 465.97
    trioctyl phosphate 64.82
    1-bromopropane 1074.23
    gamma-valerolactone 1182.98
    n-decanol 63.52
    triethyl phosphate 158.07
    4-methyl-2-pentanol 144.58
    propionitrile 908.68
    vinylene carbonate 519.66
    1,1,2-trichlorotrifluoroethane 600.35
    DMS 340.02
    cumene 121.58
    2-octanol 61.51
    2-hexanone 561.56
    octyl acetate 130.3
    limonene 152.96
    1,2-dimethoxyethane 1142.57
    ethyl orthosilicate 161.22
    tributyl phosphate 100.14
    diacetone alcohol 401.83
    N,N-dimethylaniline 227.97
    acrylonitrile 980.04
    aniline 445.82
    1,3-propanediol 372.15
    bromobenzene 676.83
    dibromomethane 1855.73
    1,1,2,2-tetrachloroethane 1883.87
    2-methyl-cyclohexyl acetate 256.62
    tetrabutyl urea 121.32
    diisobutyl methanol 127.98
    2-phenylethanol 300.84
    styrene 343.36
    dioctyl adipate 169.85
    dimethyl sulfate 293.98
    ethyl butyrate 559.06
    methyl lactate 179.48
    butyl lactate 160.58
    diethyl carbonate 330.79
    propanediol butyl ether 158.72
    triethyl orthoformate 293.73
    p-tert-butyltoluene 95.8
    methyl 4-tert-butylbenzoate 201.31
    morpholine 1928.21
    tert-butylamine 339.65
    n-dodecanol 51.34
    dimethoxymethane 850.02
    ethylene carbonate 484.12
    cyrene 194.05
    2-ethoxyethyl acetate 437.51
    2-ethylhexyl acetate 452.19
    1,2,4-trichlorobenzene 488.5
    4-methylpyridine 1062.28
    dibutyl ether 274.82
    2,6-dimethyl-4-heptanol 127.98
    DEF 882.51
    dimethyl isosorbide 448.26
    tetrachloroethylene 1199.36
    eugenol 204.61
    triacetin 285.84
    span 80 185.58
    1,4-butanediol 129.77
    1,1-dichloroethane 1752.55
    2-methyl-1-pentanol 262.74
    methyl formate 365.86
    2-methyl-1-butanol 315.13
    n-decane 19.3
    butyronitrile 782.85
    3,7-dimethyl-1-octanol 120.57
    1-chlorooctane 95.8
    1-chlorotetradecane 38.58
    n-nonane 18.4
    undecane 14.26
    tert-butylcyclohexane 44.88
    cyclooctane 25.36
    cyclopentanol 248.06
    tetrahydropyran 1469.07
    tert-amyl methyl ether 353.86
    2,5,8-trioxanonane 509.87
    1-hexene 360.72
    2-isopropoxyethanol 360.51
    2,2,2-trifluoroethanol 117.24
    methyl butyrate 814.06

    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