(3Z)-4-Phenyl-3-buten-2-ol

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  • Identifiers

    CAS number
    31915-95-4

    Molecular formula
    C10H12O

    SMILES
    CC(/C=C\C1=CC=CC=C1)O

    Safety labels

  • 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
    Very slow

    Boiling point

    • 140.00 °C. @ 12.00 mm Hg

    Flash point

    • 120.33 ˚C est.

    Solubility expt.

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

  • Synonyms

    • (3Z)-4-Phenyl-3-buten-2-ol
    • (Z)-4-Phenyl-3-buten-2-ol
    • FEMA No. 2880, Z-
    • 3-Buten-2-ol, 4-phenyl-, cis-
    • UNII-59SJ957IUM
    • 4-Phenyl-3-buten-2-ol, (3Z)-
    • 3-Buten-2-ol, 4-phenyl-, (Z)-
    • 59SJ957IUM
    • 3-Buten-2-ol, 4-phenyl-, (3Z)-
    • 31915-95-4
    • 4-Phenyl-3-buten-2-ol
    • Methylstyrylcarbinol
    • (Z)-4-Phenylbut-3-en-2-ol
    • (3Z)-4-phenylbut-3-en-2-ol
    • a-methylcinnamyl alcohol
    • SCHEMBL11960058
    • FEMA 2880
    • ZIJWGEHOVHJHKB-FPLPWBNLSA-N
    • Q27261718
    • 31915-95-4

  • Applications

    (3Z)-4-Phenyl-3-buten-2-ol (CAS 31915-95-4) is primarily used as a chemical intermediate in fragrance chemistry, where it serves as a precursor to aroma compounds and as a chiral building block in fine chemical synthesis. In cosmetics and personal care, it is evaluated as an odorant/fragrance ingredient for formulation development. In industrial manufacturing and polymer applications, it can act as a reactive intermediate for the synthesis of specialty polymers and resin systems. In pharmaceutical and agrochemical development, it may be pursued as a starting material for synthetic routes to target molecules. Its use is subject to local regulations and formulation 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
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