2-Propoxyethylbenzene

  • Identifiers

    Molecular formula
    C11H16O

    SMILES
    CCCOCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Green 85.81%
    Floral 82.88%
    Rose 70.43%
    Hyacinth 60.99%
    Leafy 44.32%
    Metallic 43.64%
    Fruity 41.2%
    Earthy 40.89%
    Honey 39.3%
    Fresh 38.3%

     

    Flavor
    Floral 68.94%
    Green 65.57%
    Rose 62.52%
    Hyacinth 50.19%
    Earthy 40.61%
    Honey 37.61%
    Bitter 36.25%
    Spicy 32.99%
    Balsam 31.0%
    Lilac 30.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.02 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point

    • 87.46 ˚C est.

  • Synonyms

    • SCHEMBL148130
  • Applications

    2-Propoxyethylbenzene is typically used as an organic solvent for coatings, printing inks, and adhesives in industrial applications; acts as an industrial chemical intermediate in the synthesis of fragrance-related compounds; may be used as a solvent or processing aid in cosmetics and personal care formulations; applies to household and cleaning formulations as a solvent; is used in electronics as a solvent for coatings and surface cleaning in photoresist processing; and may serve as a solvent or processing aid in polymers/plastics formulations depending on formulation requirements and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2419.21
    methanol 1899.87
    isopropanol 1456.6
    water 0.41
    ethyl acetate 3309.65
    n-propanol 1770.46
    acetone 2004.36
    n-butanol 1926.13
    acetonitrile 2199.5
    DMF 771.79
    toluene 1073.93
    isobutanol 1195.86
    1,4-dioxane 4794.98
    methyl acetate 1890.3
    THF 2697.91
    2-butanone 1744.85
    n-pentanol 1398.63
    sec-butanol 1328.41
    n-hexane 939.84
    ethylene glycol 309.96
    NMP 504.08
    cyclohexane 1300.62
    DMSO 1861.11
    n-butyl acetate 2545.75
    n-octanol 437.27
    chloroform 6597.26
    n-propyl acetate 1654.19
    acetic acid 1762.29
    dichloromethane 6280.89
    cyclohexanone 2042.11
    propylene glycol 409.12
    isopropyl acetate 1411.45
    DMAc 687.69
    2-ethoxyethanol 1568.16
    isopentanol 1556.88
    n-heptane 604.43
    ethyl formate 1137.0
    1,2-dichloroethane 4222.16
    n-hexanol 1818.67
    2-methoxyethanol 1956.97
    isobutyl acetate 983.89
    tetrachloromethane 1025.32
    n-pentyl acetate 756.64
    transcutol 5183.33
    n-heptanol 446.97
    ethylbenzene 553.14
    MIBK 844.97
    2-propoxyethanol 1930.39
    tert-butanol 1765.31
    MTBE 2236.71
    2-butoxyethanol 770.19
    propionic acid 1051.22
    o-xylene 483.02
    formic acid 325.55
    diethyl ether 4671.11
    m-xylene 524.18
    p-xylene 605.32
    chlorobenzene 1312.93
    dimethyl carbonate 390.91
    n-octane 145.49
    formamide 411.45
    cyclopentanone 1237.14
    2-pentanone 1674.02
    anisole 1007.98
    cyclopentyl methyl ether 1610.93
    gamma-butyrolactone 1338.64
    1-methoxy-2-propanol 1250.23
    pyridine 2662.01
    3-pentanone 1265.11
    furfural 1319.64
    n-dodecane 87.5
    diethylene glycol 1081.19
    diisopropyl ether 929.05
    tert-amyl alcohol 1183.61
    acetylacetone 1376.17
    n-hexadecane 100.7
    acetophenone 736.78
    methyl propionate 1380.52
    isopentyl acetate 1621.93
    trichloroethylene 5232.88
    n-nonanol 388.42
    cyclohexanol 1344.66
    benzyl alcohol 712.07
    2-ethylhexanol 1070.38
    isooctanol 368.6
    dipropyl ether 2411.73
    1,2-dichlorobenzene 1080.77
    ethyl lactate 442.31
    propylene carbonate 988.69
    n-methylformamide 530.74
    2-pentanol 1260.7
    n-pentane 685.92
    1-propoxy-2-propanol 1458.87
    1-methoxy-2-propyl acetate 1357.89
    2-(2-methoxypropoxy) propanol 688.48
    mesitylene 346.03
    ε-caprolactone 1787.33
    p-cymene 345.61
    epichlorohydrin 2609.4
    1,1,1-trichloroethane 3134.52
    2-aminoethanol 680.44
    morpholine-4-carbaldehyde 1265.63
    sulfolane 1214.42
    2,2,4-trimethylpentane 182.7
    2-methyltetrahydrofuran 2380.73
    n-hexyl acetate 948.77
    isooctane 159.2
    2-(2-butoxyethoxy)ethanol 1046.79
    sec-butyl acetate 998.97
    tert-butyl acetate 1177.93
    decalin 347.18
    glycerin 453.05
    diglyme 2145.93
    acrylic acid 727.03
    isopropyl myristate 376.5
    n-butyric acid 1946.12
    acetyl acetate 1455.68
    di(2-ethylhexyl) phthalate 278.31
    ethyl propionate 1222.34
    nitromethane 1872.96
    1,2-diethoxyethane 3034.27
    benzonitrile 925.06
    trioctyl phosphate 200.91
    1-bromopropane 3121.76
    gamma-valerolactone 1673.94
    n-decanol 289.1
    triethyl phosphate 440.7
    4-methyl-2-pentanol 586.2
    propionitrile 1600.31
    vinylene carbonate 934.4
    1,1,2-trichlorotrifluoroethane 1575.37
    DMS 735.66
    cumene 327.64
    2-octanol 279.02
    2-hexanone 1395.92
    octyl acetate 421.56
    limonene 624.54
    1,2-dimethoxyethane 2765.83
    ethyl orthosilicate 499.76
    tributyl phosphate 322.86
    diacetone alcohol 801.08
    N,N-dimethylaniline 523.14
    acrylonitrile 1328.68
    aniline 1015.14
    1,3-propanediol 973.82
    bromobenzene 1582.88
    dibromomethane 4606.99
    1,1,2,2-tetrachloroethane 4345.97
    2-methyl-cyclohexyl acetate 742.65
    tetrabutyl urea 367.7
    diisobutyl methanol 519.55
    2-phenylethanol 771.47
    styrene 868.04
    dioctyl adipate 493.6
    dimethyl sulfate 446.28
    ethyl butyrate 1637.94
    methyl lactate 363.67
    butyl lactate 455.5
    diethyl carbonate 924.8
    propanediol butyl ether 514.38
    triethyl orthoformate 969.36
    p-tert-butyltoluene 321.66
    methyl 4-tert-butylbenzoate 442.74
    morpholine 4256.92
    tert-butylamine 1394.35
    n-dodecanol 236.82
    dimethoxymethane 1246.03
    ethylene carbonate 968.2
    cyrene 415.36
    2-ethoxyethyl acetate 1022.86
    2-ethylhexyl acetate 1293.19
    1,2,4-trichlorobenzene 1123.29
    4-methylpyridine 1883.78
    dibutyl ether 1382.84
    2,6-dimethyl-4-heptanol 519.55
    DEF 1495.36
    dimethyl isosorbide 931.73
    tetrachloroethylene 2963.68
    eugenol 455.31
    triacetin 742.33
    span 80 595.71
    1,4-butanediol 454.96
    1,1-dichloroethane 3650.29
    2-methyl-1-pentanol 1135.41
    methyl formate 434.95
    2-methyl-1-butanol 1325.0
    n-decane 161.23
    butyronitrile 1947.87
    3,7-dimethyl-1-octanol 510.22
    1-chlorooctane 493.12
    1-chlorotetradecane 186.48
    n-nonane 179.38
    undecane 111.58
    tert-butylcyclohexane 293.29
    cyclooctane 351.58
    cyclopentanol 827.13
    tetrahydropyran 4617.89
    tert-amyl methyl ether 1274.68
    2,5,8-trioxanonane 1270.33
    1-hexene 2184.66
    2-isopropoxyethanol 1076.79
    2,2,2-trifluoroethanol 354.58
    methyl butyrate 1567.72

    Scent© AI

1 of 4
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