4-Phenylbut-3-en-2-ol

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  • Identifiers

    CAS number
    17488-65-2

    Molecular formula
    C10H12O

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

  • Odor profile

    Fragrance
    Sweet 86.05%
    Floral 84.67%
    Balsamic 71.1%
    Fruity 65.65%
    Spicy 56.73%
    Cinnamon 49.06%
    Powdery 42.18%
    Honey 38.73%
    Cherry 36.18%
    Rose 36.05%

     

    Flavor
    Sweet 84.83%
    Green 71.17%
    Floral 57.54%
    Hyacinth 50.04%
    Balsam 48.88%
    Bitter 44.23%
    Cinnamon 41.85%
    Spicy 41.48%
    Fresh 40.37%
    Honey 34.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.21 (weak base)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 120.33 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-phenylbut-3-en-2-ol
    • 17488-65-2
    • 3-Buten-2-ol, 4-phenyl-
    • 4-Phenyl-3-buten-2-ol
    • Methylstyrylcarbinol
    • 4-phenyl-3-buten-2ol
    • 4-phenyl-but-3-ene-2-ol
    • DTXSID90864779
    • WLZ3162
    • DB-367944
    • NS00084969

  • Applications

    4-Phenylbut-3-en-2-ol (CAS 17488-65-2) is principally used as an organic-synthesis intermediate and a chiral building block. It is employed in pharmaceutical and fine-chemical development as a scaffold for downstream transformations (e.g., oxidation, esterification, and conversion to chiral derivatives) to access more complex molecules. In the fragrance and flavor sector, its allylic aryl-olefin structure is used as an aroma intermediate and can be elaborated into scent components. In cosmetics and personal care, it may be evaluated as a fragrance precursor or cosmetic intermediate subject to formulation constraints. In industrial manufacturing, it serves as a starting material for derivatives used in coatings, inks, or polymer-related applications, within applicable regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1209.21
    methanol 880.47
    isopropanol 858.86
    water 1.05
    ethyl acetate 596.47
    n-propanol 907.7
    acetone 982.72
    n-butanol 702.16
    acetonitrile 616.39
    DMF 781.2
    toluene 145.39
    isobutanol 491.87
    1,4-dioxane 950.46
    methyl acetate 631.73
    THF 895.3
    2-butanone 656.19
    n-pentanol 396.77
    sec-butanol 577.26
    n-hexane 65.67
    ethylene glycol 312.26
    NMP 335.26
    cyclohexane 59.11
    DMSO 1253.59
    n-butyl acetate 329.79
    n-octanol 154.17
    chloroform 667.84
    n-propyl acetate 275.9
    acetic acid 486.65
    dichloromethane 535.74
    cyclohexanone 468.94
    propylene glycol 594.8
    isopropyl acetate 234.58
    DMAc 537.79
    2-ethoxyethanol 464.64
    isopentanol 410.09
    n-heptane 58.92
    ethyl formate 276.5
    1,2-dichloroethane 385.35
    n-hexanol 498.68
    2-methoxyethanol 863.48
    isobutyl acetate 162.42
    tetrachloromethane 88.22
    n-pentyl acetate 116.57
    transcutol 1222.77
    n-heptanol 156.85
    ethylbenzene 83.22
    MIBK 229.48
    2-propoxyethanol 598.15
    tert-butanol 701.11
    MTBE 457.0
    2-butoxyethanol 253.48
    propionic acid 543.89
    o-xylene 84.19
    formic acid 131.52
    diethyl ether 597.22
    m-xylene 99.82
    p-xylene 86.84
    chlorobenzene 155.15
    dimethyl carbonate 164.6
    n-octane 17.95
    formamide 214.88
    cyclopentanone 598.72
    2-pentanone 521.57
    anisole 216.57
    cyclopentyl methyl ether 372.34
    gamma-butyrolactone 582.42
    1-methoxy-2-propanol 636.68
    pyridine 471.57
    3-pentanone 341.15
    furfural 370.93
    n-dodecane 14.53
    diethylene glycol 473.05
    diisopropyl ether 116.66
    tert-amyl alcohol 465.55
    acetylacetone 361.22
    n-hexadecane 16.15
    acetophenone 154.31
    methyl propionate 450.04
    isopentyl acetate 229.51
    trichloroethylene 637.45
    n-nonanol 126.27
    cyclohexanol 321.68
    benzyl alcohol 176.26
    2-ethylhexanol 229.01
    isooctanol 116.59
    dipropyl ether 343.64
    1,2-dichlorobenzene 117.68
    ethyl lactate 139.52
    propylene carbonate 270.87
    n-methylformamide 411.72
    2-pentanol 423.14
    n-pentane 53.78
    1-propoxy-2-propanol 399.85
    1-methoxy-2-propyl acetate 262.3
    2-(2-methoxypropoxy) propanol 215.1
    mesitylene 59.28
    ε-caprolactone 339.65
    p-cymene 59.2
    epichlorohydrin 626.23
    1,1,1-trichloroethane 312.67
    2-aminoethanol 607.48
    morpholine-4-carbaldehyde 459.32
    sulfolane 590.5
    2,2,4-trimethylpentane 25.86
    2-methyltetrahydrofuran 588.45
    n-hexyl acetate 189.15
    isooctane 24.54
    2-(2-butoxyethoxy)ethanol 321.02
    sec-butyl acetate 148.15
    tert-butyl acetate 211.31
    decalin 31.69
    glycerin 481.78
    diglyme 533.36
    acrylic acid 369.12
    isopropyl myristate 79.91
    n-butyric acid 574.04
    acetyl acetate 206.86
    di(2-ethylhexyl) phthalate 77.6
    ethyl propionate 229.42
    nitromethane 651.79
    1,2-diethoxyethane 365.99
    benzonitrile 171.28
    trioctyl phosphate 62.65
    1-bromopropane 281.37
    gamma-valerolactone 556.39
    n-decanol 99.2
    triethyl phosphate 80.9
    4-methyl-2-pentanol 173.49
    propionitrile 478.75
    vinylene carbonate 233.56
    1,1,2-trichlorotrifluoroethane 440.62
    DMS 151.83
    cumene 59.37
    2-octanol 89.79
    2-hexanone 290.87
    octyl acetate 101.59
    limonene 98.14
    1,2-dimethoxyethane 635.09
    ethyl orthosilicate 85.41
    tributyl phosphate 73.9
    diacetone alcohol 290.6
    N,N-dimethylaniline 126.69
    acrylonitrile 463.28
    aniline 237.64
    1,3-propanediol 553.12
    bromobenzene 142.9
    dibromomethane 346.38
    1,1,2,2-tetrachloroethane 516.36
    2-methyl-cyclohexyl acetate 133.74
    tetrabutyl urea 101.9
    diisobutyl methanol 118.57
    2-phenylethanol 178.49
    styrene 109.55
    dioctyl adipate 109.49
    dimethyl sulfate 226.93
    ethyl butyrate 217.46
    methyl lactate 211.69
    butyl lactate 120.41
    diethyl carbonate 129.33
    propanediol butyl ether 260.84
    triethyl orthoformate 133.15
    p-tert-butyltoluene 58.75
    methyl 4-tert-butylbenzoate 137.92
    morpholine 1037.62
    tert-butylamine 424.33
    n-dodecanol 80.55
    dimethoxymethane 555.99
    ethylene carbonate 211.69
    cyrene 166.75
    2-ethoxyethyl acetate 177.64
    2-ethylhexyl acetate 165.95
    1,2,4-trichlorobenzene 150.75
    4-methylpyridine 332.95
    dibutyl ether 181.84
    2,6-dimethyl-4-heptanol 118.57
    DEF 415.07
    dimethyl isosorbide 267.4
    tetrachloroethylene 327.98
    eugenol 151.06
    triacetin 179.01
    span 80 204.8
    1,4-butanediol 229.35
    1,1-dichloroethane 425.42
    2-methyl-1-pentanol 253.14
    methyl formate 301.47
    2-methyl-1-butanol 392.27
    n-decane 24.49
    butyronitrile 465.55
    3,7-dimethyl-1-octanol 137.25
    1-chlorooctane 85.99
    1-chlorotetradecane 36.02
    n-nonane 25.09
    undecane 18.18
    tert-butylcyclohexane 35.59
    cyclooctane 22.13
    cyclopentanol 351.37
    tetrahydropyran 779.54
    tert-amyl methyl ether 269.25
    2,5,8-trioxanonane 358.59
    1-hexene 257.63
    2-isopropoxyethanol 298.15
    2,2,2-trifluoroethanol 114.67
    methyl butyrate 300.04

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.22 % Category 7A
Rinse-off products applied to the hair with some hand contact
 2.5 %
Category 2
Products applied to the axillae
 0.066 % Category 7B
Leave-on products applied to the hair with some hand contact
 2.5 %
Category 3
Products applied to the face/body using fingertips
 1.3 % Category 8
Products with significant anogenital exposure
 0.13 %
Category 4
Products related to fine fragrance
 1.2 % Category 9
Products with body and hand exposure, primarily rinse off
 2.4 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.32 % Category 10A
Household care products with mostly hand contact
 8.7 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.32 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 8.7 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.32 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 4.8 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.32 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 4.8 %
Category 6
Products with oral and lip exposure
 0.73 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction