beta-Ethylbenzenepropanol

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  • Identifiers

    CAS number
    3968-87-4

    Molecular formula
    C11H16O

    SMILES
    CCC(CC1=CC=CC=C1)CO

  • Odor profile

    Fragrance
    Floral 77.56%
    Sweet 61.56%
    Fruity 50.48%
    Rose 50.16%
    Balsamic 43.17%
    Green 38.72%
    Spicy 35.38%
    Herbal 34.18%
    Citrus 31.19%
    Fresh 30.84%

     

    Flavor
    Sweet 68.69%
    Green 63.21%
    Floral 55.2%
    Rose 40.83%
    Balsam 37.39%
    Fresh 37.14%
    Earthy 36.45%
    Hyacinth 34.26%
    Spicy 33.29%
    Mild 32.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.67 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    251°C

    Flash point

    • 117.38 ˚C est.

  • Synonyms

    • 3968-87-4
    • 2-benzylbutanol
    • beta-Ethylbenzenepropanol
    • I(2)-Ethylbenzenepropanol
    • SCHEMBL345523
    • DTXSID601314393
    • AKOS015261062

  • Applications

    beta-Ethylbenzenepropanol (CAS 3968-87-4) is used as a fragrance ingredient/odorant in perfumery, as a scent component in cosmetics and personal care, as a fragrance additive in household products, as an organic synthesis intermediate and building block in specialty chemical manufacturing, and may serve as a solvent or co-solvent in industrial formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7069.44
    methanol 4284.82
    isopropanol 6117.18
    water 0.7
    ethyl acetate 4925.32
    n-propanol 5870.05
    acetone 5701.95
    n-butanol 4594.76
    acetonitrile 5941.31
    DMF 2984.05
    toluene 721.57
    isobutanol 3610.76
    1,4-dioxane 4805.2
    methyl acetate 3408.51
    THF 4226.14
    2-butanone 3539.22
    n-pentanol 2091.02
    sec-butanol 3078.57
    n-hexane 170.89
    ethylene glycol 607.01
    NMP 906.91
    cyclohexane 292.01
    DMSO 4375.29
    n-butyl acetate 2560.26
    n-octanol 449.7
    chloroform 5062.77
    n-propyl acetate 2077.72
    acetic acid 2690.69
    dichloromethane 5286.5
    cyclohexanone 3127.09
    propylene glycol 1007.79
    isopropyl acetate 1787.15
    DMAc 1194.72
    2-ethoxyethanol 2101.86
    isopentanol 2969.56
    n-heptane 142.9
    ethyl formate 2767.44
    1,2-dichloroethane 4064.37
    n-hexanol 2411.02
    2-methoxyethanol 4605.81
    isobutyl acetate 928.84
    tetrachloromethane 552.79
    n-pentyl acetate 641.19
    transcutol 4342.77
    n-heptanol 600.24
    ethylbenzene 309.2
    MIBK 1277.31
    2-propoxyethanol 2720.24
    tert-butanol 4651.49
    MTBE 2872.55
    2-butoxyethanol 1030.25
    propionic acid 2661.84
    o-xylene 306.63
    formic acid 504.84
    diethyl ether 3864.26
    m-xylene 404.22
    p-xylene 345.86
    chlorobenzene 1107.64
    dimethyl carbonate 575.0
    n-octane 44.3
    formamide 1149.33
    cyclopentanone 2981.63
    2-pentanone 3217.46
    anisole 850.43
    cyclopentyl methyl ether 1699.13
    gamma-butyrolactone 3289.83
    1-methoxy-2-propanol 2912.4
    pyridine 2972.43
    3-pentanone 1550.03
    furfural 1893.21
    n-dodecane 30.57
    diethylene glycol 1280.4
    diisopropyl ether 647.16
    tert-amyl alcohol 2064.78
    acetylacetone 1928.07
    n-hexadecane 34.74
    acetophenone 609.68
    methyl propionate 2379.12
    isopentyl acetate 1601.58
    trichloroethylene 5410.39
    n-nonanol 342.37
    cyclohexanol 1704.3
    benzyl alcohol 697.99
    2-ethylhexanol 957.13
    isooctanol 435.68
    dipropyl ether 1695.6
    1,2-dichlorobenzene 678.07
    ethyl lactate 460.78
    propylene carbonate 1569.52
    n-methylformamide 2556.54
    2-pentanol 2418.24
    n-pentane 179.46
    1-propoxy-2-propanol 1966.27
    1-methoxy-2-propyl acetate 1293.23
    2-(2-methoxypropoxy) propanol 483.14
    mesitylene 219.57
    ε-caprolactone 2199.3
    p-cymene 199.22
    epichlorohydrin 4207.01
    1,1,1-trichloroethane 2478.07
    2-aminoethanol 1851.8
    morpholine-4-carbaldehyde 1600.53
    sulfolane 2122.91
    2,2,4-trimethylpentane 72.73
    2-methyltetrahydrofuran 3050.8
    n-hexyl acetate 755.7
    isooctane 80.0
    2-(2-butoxyethoxy)ethanol 876.86
    sec-butyl acetate 925.3
    tert-butyl acetate 1210.48
    decalin 91.84
    glycerin 812.11
    diglyme 1993.92
    acrylic acid 1449.15
    isopropyl myristate 238.12
    n-butyric acid 4646.51
    acetyl acetate 1206.97
    di(2-ethylhexyl) phthalate 180.35
    ethyl propionate 1325.55
    nitromethane 4820.26
    1,2-diethoxyethane 2067.66
    benzonitrile 1026.2
    trioctyl phosphate 162.79
    1-bromopropane 2160.48
    gamma-valerolactone 3214.18
    n-decanol 248.95
    triethyl phosphate 270.64
    4-methyl-2-pentanol 825.85
    propionitrile 3869.36
    vinylene carbonate 1362.57
    1,1,2-trichlorotrifluoroethane 1713.78
    DMS 457.45
    cumene 189.27
    2-octanol 304.33
    2-hexanone 1678.61
    octyl acetate 292.32
    limonene 362.42
    1,2-dimethoxyethane 3504.9
    ethyl orthosilicate 290.16
    tributyl phosphate 210.5
    diacetone alcohol 1201.68
    N,N-dimethylaniline 354.05
    acrylonitrile 3253.04
    aniline 1109.05
    1,3-propanediol 2800.84
    bromobenzene 1070.21
    dibromomethane 3319.8
    1,1,2,2-tetrachloroethane 3635.28
    2-methyl-cyclohexyl acetate 535.35
    tetrabutyl urea 246.86
    diisobutyl methanol 448.86
    2-phenylethanol 708.88
    styrene 480.88
    dioctyl adipate 315.19
    dimethyl sulfate 589.9
    ethyl butyrate 1562.49
    methyl lactate 593.96
    butyl lactate 447.5
    diethyl carbonate 732.13
    propanediol butyl ether 662.03
    triethyl orthoformate 692.27
    p-tert-butyltoluene 189.06
    methyl 4-tert-butylbenzoate 366.61
    morpholine 5776.23
    tert-butylamine 2848.89
    n-dodecanol 185.97
    dimethoxymethane 2570.07
    ethylene carbonate 1464.93
    cyrene 370.83
    2-ethoxyethyl acetate 854.85
    2-ethylhexyl acetate 1006.58
    1,2,4-trichlorobenzene 707.75
    4-methylpyridine 2312.19
    dibutyl ether 796.6
    2,6-dimethyl-4-heptanol 448.86
    DEF 2219.86
    dimethyl isosorbide 743.19
    tetrachloroethylene 2313.09
    eugenol 378.39
    triacetin 487.6
    span 80 469.22
    1,4-butanediol 720.71
    1,1-dichloroethane 4354.03
    2-methyl-1-pentanol 1198.97
    methyl formate 1709.74
    2-methyl-1-butanol 2322.26
    n-decane 55.07
    butyronitrile 4512.07
    3,7-dimethyl-1-octanol 436.48
    1-chlorooctane 273.3
    1-chlorotetradecane 87.46
    n-nonane 57.52
    undecane 39.26
    tert-butylcyclohexane 93.62
    cyclooctane 77.61
    cyclopentanol 1831.04
    tetrahydropyran 4959.83
    tert-amyl methyl ether 1168.83
    2,5,8-trioxanonane 931.64
    1-hexene 983.88
    2-isopropoxyethanol 1215.59
    2,2,2-trifluoroethanol 518.04
    methyl butyrate 2253.66

    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