2-Ethoxy-5-propylphenol

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  • Identifiers

    CAS number
    68399-69-9

    Molecular formula
    C11H16O2

    SMILES
    CCCC1=CC(=C(C=C1)OCC)O

  • Odor profile

    Fragrance
    Spicy 80.29%
    Phenolic 79.55%
    Smoky 66.27%
    Sweet 54.24%
    Woody 53.88%
    Vanilla 49.98%
    Clove 49.72%
    Medicinal 44.74%
    Burnt 43.45%
    Balsamic 43.13%

     

    Flavor
    Phenolic 63.31%
    Spicy 62.04%
    Sweet 53.18%
    Spice 51.46%
    Clove 50.61%
    Smoky 49.12%
    Vanilla 44.04%
    Medicinal 43.76%
    Woody 42.23%
    Bacon 39.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.54 (weak base)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 113.18 ˚C est.

  • Synonyms

    • 2-Ethoxy-5-propylphenol
    • Phenol, 2-ethoxy-5-propyl-
    • 68399-69-9
    • EINECS 269-980-7
    • UNII-XG7V4C1545
    • XG7V4C1545
    • DTXSID9071478
    • SCHEMBL532205
    • DTXCID8045937
    • XDZLFEKELKUEPL-UHFFFAOYSA-N
    • NS00036569
    • Q27293830
    • 269-980-7

  • Applications

    2-Ethoxy-5-propylphenol (CAS 68399-69-9) is used as an aroma ingredient and odorant in perfumery and personal care products, with the potential to act as a fragrance fixative in fragrance formulations. In household cleaning products, it may appear as a scent component to enhance fragrance longevity. Industrially, it is treated as an intermediate for the synthesis of specialty chemicals, supporting the production of polymers, coatings, and related phenolic derivatives. It may be used as a precursor in the preparation of intermediates for agrochemical and pharmaceutical applications, subject to formulation and regulatory constraints, and can serve as a building block for related phenolic derivatives across other industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4318.26
    methanol 6377.02
    isopropanol 2389.76
    water 0.34
    ethyl acetate 3992.24
    n-propanol 2945.49
    acetone 6281.14
    n-butanol 2419.49
    acetonitrile 3862.81
    DMF 5039.37
    toluene 698.48
    isobutanol 1738.82
    1,4-dioxane 3502.63
    methyl acetate 2979.3
    THF 4152.16
    2-butanone 2902.16
    n-pentanol 1195.47
    sec-butanol 1570.93
    n-hexane 184.41
    ethylene glycol 719.85
    NMP 1877.17
    cyclohexane 311.58
    DMSO 6069.95
    n-butyl acetate 2411.3
    n-octanol 406.9
    chloroform 3768.84
    n-propyl acetate 1606.13
    acetic acid 2564.14
    dichloromethane 5421.24
    cyclohexanone 3224.19
    propylene glycol 709.71
    isopropyl acetate 1643.33
    DMAc 1684.91
    2-ethoxyethanol 1753.89
    isopentanol 1625.58
    n-heptane 94.15
    ethyl formate 1933.4
    1,2-dichloroethane 4884.88
    n-hexanol 1607.66
    2-methoxyethanol 3967.04
    isobutyl acetate 793.35
    tetrachloromethane 539.16
    n-pentyl acetate 767.57
    transcutol 4052.29
    n-heptanol 402.93
    ethylbenzene 323.22
    MIBK 1160.89
    2-propoxyethanol 2391.06
    tert-butanol 2821.87
    MTBE 2726.08
    2-butoxyethanol 766.63
    propionic acid 1735.54
    o-xylene 337.11
    formic acid 718.15
    diethyl ether 3904.49
    m-xylene 448.64
    p-xylene 345.4
    chlorobenzene 1292.8
    dimethyl carbonate 909.69
    n-octane 46.14
    formamide 1478.52
    cyclopentanone 3261.25
    2-pentanone 2878.38
    anisole 844.3
    cyclopentyl methyl ether 1805.79
    gamma-butyrolactone 3428.27
    1-methoxy-2-propanol 2387.57
    pyridine 2250.74
    3-pentanone 1634.71
    furfural 2121.07
    n-dodecane 40.64
    diethylene glycol 1649.5
    diisopropyl ether 642.45
    tert-amyl alcohol 1667.44
    acetylacetone 2478.19
    n-hexadecane 47.92
    acetophenone 669.73
    methyl propionate 2576.65
    isopentyl acetate 1575.89
    trichloroethylene 5881.97
    n-nonanol 338.72
    cyclohexanol 1388.53
    benzyl alcohol 652.97
    2-ethylhexanol 642.54
    isooctanol 306.84
    dipropyl ether 958.37
    1,2-dichlorobenzene 959.51
    ethyl lactate 439.69
    propylene carbonate 1635.35
    n-methylformamide 2711.12
    2-pentanol 1324.36
    n-pentane 189.57
    1-propoxy-2-propanol 1451.31
    1-methoxy-2-propyl acetate 1377.04
    2-(2-methoxypropoxy) propanol 584.27
    mesitylene 276.03
    ε-caprolactone 2134.65
    p-cymene 203.99
    epichlorohydrin 4594.25
    1,1,1-trichloroethane 2749.3
    2-aminoethanol 1276.24
    morpholine-4-carbaldehyde 2086.29
    sulfolane 3373.44
    2,2,4-trimethylpentane 85.56
    2-methyltetrahydrofuran 2763.8
    n-hexyl acetate 1009.53
    isooctane 79.45
    2-(2-butoxyethoxy)ethanol 950.4
    sec-butyl acetate 787.9
    tert-butyl acetate 1447.41
    decalin 117.61
    glycerin 843.46
    diglyme 1843.7
    acrylic acid 1261.66
    isopropyl myristate 320.9
    n-butyric acid 2735.71
    acetyl acetate 1608.62
    di(2-ethylhexyl) phthalate 248.97
    ethyl propionate 1174.19
    nitromethane 4601.45
    1,2-diethoxyethane 1932.19
    benzonitrile 959.94
    trioctyl phosphate 225.73
    1-bromopropane 2355.09
    gamma-valerolactone 3306.46
    n-decanol 256.26
    triethyl phosphate 289.27
    4-methyl-2-pentanol 559.62
    propionitrile 2521.27
    vinylene carbonate 1475.98
    1,1,2-trichlorotrifluoroethane 1994.89
    DMS 850.52
    cumene 196.36
    2-octanol 287.91
    2-hexanone 1316.65
    octyl acetate 423.69
    limonene 357.65
    1,2-dimethoxyethane 2993.47
    ethyl orthosilicate 294.3
    tributyl phosphate 313.34
    diacetone alcohol 1358.66
    N,N-dimethylaniline 393.44
    acrylonitrile 2626.22
    aniline 994.68
    1,3-propanediol 1884.91
    bromobenzene 1378.34
    dibromomethane 3428.46
    1,1,2,2-tetrachloroethane 4115.37
    2-methyl-cyclohexyl acetate 510.71
    tetrabutyl urea 360.72
    diisobutyl methanol 317.97
    2-phenylethanol 714.73
    styrene 522.53
    dioctyl adipate 410.15
    dimethyl sulfate 1083.72
    ethyl butyrate 1015.33
    methyl lactate 693.92
    butyl lactate 521.55
    diethyl carbonate 585.78
    propanediol butyl ether 703.99
    triethyl orthoformate 518.63
    p-tert-butyltoluene 210.03
    methyl 4-tert-butylbenzoate 435.72
    morpholine 4224.38
    tert-butylamine 1470.93
    n-dodecanol 195.15
    dimethoxymethane 3439.89
    ethylene carbonate 1435.92
    cyrene 470.04
    2-ethoxyethyl acetate 1084.88
    2-ethylhexyl acetate 1081.43
    1,2,4-trichlorobenzene 980.96
    4-methylpyridine 2080.83
    dibutyl ether 738.58
    2,6-dimethyl-4-heptanol 317.97
    DEF 2476.71
    dimethyl isosorbide 970.19
    tetrachloroethylene 2411.18
    eugenol 475.55
    triacetin 657.09
    span 80 510.75
    1,4-butanediol 603.87
    1,1-dichloroethane 3869.79
    2-methyl-1-pentanol 864.12
    methyl formate 2229.01
    2-methyl-1-butanol 1463.7
    n-decane 64.7
    butyronitrile 2718.16
    3,7-dimethyl-1-octanol 407.87
    1-chlorooctane 325.55
    1-chlorotetradecane 122.71
    n-nonane 64.87
    undecane 50.05
    tert-butylcyclohexane 107.09
    cyclooctane 86.72
    cyclopentanol 1227.13
    tetrahydropyran 3891.17
    tert-amyl methyl ether 1264.76
    2,5,8-trioxanonane 1043.16
    1-hexene 782.23
    2-isopropoxyethanol 1033.06
    2,2,2-trifluoroethanol 580.63
    methyl butyrate 1675.5

    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