cis-2-Phenyl-2-butene

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  • Identifiers

    CAS number
    767-99-7

    Molecular formula
    C10H12

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 68.64%
    Spicy 49.5%
    Sweet 48.88%
    Terpenic 46.13%
    Citrus 46.11%
    Lemon 41.83%
    Woody 39.21%
    Green 35.61%
    Fresh 34.76%
    Floral 33.68%

     

    Flavor
    Citrus 43.15%
    Gasoline 30.61%
    Spicy 30.55%
    Balsam 29.24%
    Sweet 27.9%
    Plastic 27.6%
    Woody 25.59%
    Guaiacol 25.07%
    Green 24.9%
    Spice 24.34%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.99 (weak base)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point

    • 61.71 ˚C est.

  • Synonyms

    • 767-99-7
    • cis-2-Phenyl-2-butene
    • DTXSID40875936
    • RefChem:1081935
    • DTXCID101014053
    • 2-PHENYL-2-BUTENE
    • (Z)-but-2-en-2-ylbenzene
    • [(Z)-but-2-en-2-yl]benzene
    • BENZENE,(1-METHYL-1-PROPENYL)
    • 2082-61-3
    • 2-Butene, 2-phenyl-, (Z)-
    • Benzene, (1-methyl-1-propenyl)-, (Z)-
    • trans-2-Phenyl-2-butene
    • 2-Butene, 2-phenyl-, trans
    • (Z)-2-Phenyl-2-butene
    • NSC911
    • [(2Z)-but-2-en-2-yl]benzene
    • starbld0001420
    • Benzene, ((1Z)-1-methyl-1-propenyl)-
    • SCHEMBL177551
    • SCHEMBL475092
    • SCHEMBL2398721
    • SCHEMBL3746260
    • SCHEMBL9799451
    • NSC-911
    • UGUYQBMBIJFNRM-OQFOIZHKSA-N
    • [(Z)-1-methylprop-1-enyl]benzene
    • (Z)-(1-methyl-1-propenyl)-benzene
    • trans-.alpha.,.beta.-Dimethylstyrene
    • AKOS006273824
    • trans-.alpha.,.beta.-Dimethylstilbene
    • [(Z)-1-methyl-prop-1-enyl]-benzene
    • [(1Z)-1-Methyl-1-propenyl]benzene #
    • G66000
    • 2-Phenyl-2-butene pound mixture of cis and trans pound(c)
    • 767-99-7

  • Applications

    cis-2-Phenyl-2-butene is primarily used as an organic-synthesis intermediate. In industrial and research settings it serves as a building block for preparing aryl-substituted alkenes through selective additions, hydrogenation, and oxidative functionalization, enabling routes to a range of fine chemicals. It may function as a precursor in fragrance and flavor chemistry, where the phenyl-alkene motif can be transformed into aroma compounds or used to construct more complex fragrance materials. In materials science, it is sometimes evaluated as a specialty monomer or precursor for aryl-containing resins and adhesive chemistries under suitable conditions. It can also be used in process chemistry and catalysis studies as a reactive olefin substrate for hydrogenation, hydrofunctionalization, or cycloaddition-type transformations. Practical use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 556.94
    methanol 202.03
    isopropanol 517.51
    water 0.18
    ethyl acetate 1279.99
    n-propanol 597.48
    acetone 1301.79
    n-butanol 636.1
    acetonitrile 1271.74
    DMF 1000.02
    toluene 1255.58
    isobutanol 447.93
    1,4-dioxane 2334.47
    methyl acetate 1118.57
    THF 2202.23
    2-butanone 1445.84
    n-pentanol 426.0
    sec-butanol 565.95
    n-hexane 782.12
    ethylene glycol 49.63
    NMP 934.32
    cyclohexane 917.08
    DMSO 869.85
    n-butyl acetate 2175.57
    n-octanol 519.66
    chloroform 2714.11
    n-propyl acetate 839.44
    acetic acid 285.23
    dichloromethane 3399.34
    cyclohexanone 1836.4
    propylene glycol 89.19
    isopropyl acetate 618.35
    DMAc 749.52
    2-ethoxyethanol 348.85
    isopentanol 462.11
    n-heptane 1241.56
    ethyl formate 670.56
    1,2-dichloroethane 2206.6
    n-hexanol 1027.78
    2-methoxyethanol 471.73
    isobutyl acetate 520.14
    tetrachloromethane 786.44
    n-pentyl acetate 722.87
    transcutol 1378.24
    n-heptanol 451.05
    ethylbenzene 702.56
    MIBK 621.3
    2-propoxyethanol 793.5
    tert-butanol 642.73
    MTBE 1093.15
    2-butoxyethanol 415.74
    propionic acid 377.48
    o-xylene 610.88
    formic acid 30.51
    diethyl ether 1925.19
    m-xylene 668.51
    p-xylene 742.71
    chlorobenzene 1067.8
    dimethyl carbonate 334.41
    n-octane 326.84
    formamide 98.02
    cyclopentanone 1685.69
    2-pentanone 1201.11
    anisole 834.2
    cyclopentyl methyl ether 1399.06
    gamma-butyrolactone 1359.88
    1-methoxy-2-propanol 430.37
    pyridine 1732.65
    3-pentanone 1096.56
    furfural 844.01
    n-dodecane 187.59
    diethylene glycol 266.09
    diisopropyl ether 563.54
    tert-amyl alcohol 564.87
    acetylacetone 835.28
    n-hexadecane 219.16
    acetophenone 591.2
    methyl propionate 868.37
    isopentyl acetate 1241.17
    trichloroethylene 2690.83
    n-nonanol 440.69
    cyclohexanol 710.3
    benzyl alcohol 347.67
    2-ethylhexanol 871.75
    isooctanol 350.86
    dipropyl ether 2182.51
    1,2-dichlorobenzene 826.58
    ethyl lactate 204.96
    propylene carbonate 822.85
    n-methylformamide 373.47
    2-pentanol 518.49
    n-pentane 559.31
    1-propoxy-2-propanol 726.81
    1-methoxy-2-propyl acetate 788.56
    2-(2-methoxypropoxy) propanol 448.79
    mesitylene 432.6
    ε-caprolactone 1238.64
    p-cymene 543.11
    epichlorohydrin 1808.65
    1,1,1-trichloroethane 2055.25
    2-aminoethanol 118.56
    morpholine-4-carbaldehyde 912.35
    sulfolane 1245.12
    2,2,4-trimethylpentane 170.94
    2-methyltetrahydrofuran 2130.09
    n-hexyl acetate 986.01
    isooctane 160.4
    2-(2-butoxyethoxy)ethanol 601.22
    sec-butyl acetate 523.45
    tert-butyl acetate 646.3
    decalin 330.17
    glycerin 93.29
    diglyme 1196.38
    acrylic acid 249.45
    isopropyl myristate 465.72
    n-butyric acid 637.41
    acetyl acetate 553.54
    di(2-ethylhexyl) phthalate 263.96
    ethyl propionate 769.23
    nitromethane 658.88
    1,2-diethoxyethane 1526.81
    benzonitrile 686.6
    trioctyl phosphate 227.22
    1-bromopropane 2060.33
    gamma-valerolactone 1301.5
    n-decanol 350.8
    triethyl phosphate 335.21
    4-methyl-2-pentanol 264.11
    propionitrile 1116.66
    vinylene carbonate 714.44
    1,1,2-trichlorotrifluoroethane 532.43
    DMS 533.52
    cumene 423.1
    2-octanol 351.98
    2-hexanone 952.7
    octyl acetate 536.14
    limonene 920.35
    1,2-dimethoxyethane 1223.1
    ethyl orthosilicate 349.15
    tributyl phosphate 280.83
    diacetone alcohol 472.06
    N,N-dimethylaniline 544.24
    acrylonitrile 901.24
    aniline 606.63
    1,3-propanediol 203.68
    bromobenzene 1392.79
    dibromomethane 2675.08
    1,1,2,2-tetrachloroethane 1837.04
    2-methyl-cyclohexyl acetate 588.27
    tetrabutyl urea 425.3
    diisobutyl methanol 436.34
    2-phenylethanol 518.11
    styrene 833.15
    dioctyl adipate 489.65
    dimethyl sulfate 395.08
    ethyl butyrate 1285.79
    methyl lactate 198.44
    butyl lactate 290.6
    diethyl carbonate 622.98
    propanediol butyl ether 292.17
    triethyl orthoformate 626.4
    p-tert-butyltoluene 470.07
    methyl 4-tert-butylbenzoate 537.36
    morpholine 1959.31
    tert-butylamine 542.85
    n-dodecanol 302.97
    dimethoxymethane 900.13
    ethylene carbonate 685.49
    cyrene 314.04
    2-ethoxyethyl acetate 728.79
    2-ethylhexyl acetate 1145.77
    1,2,4-trichlorobenzene 806.62
    4-methylpyridine 1596.58
    dibutyl ether 1272.93
    2,6-dimethyl-4-heptanol 436.34
    DEF 1057.63
    dimethyl isosorbide 801.1
    tetrachloroethylene 1189.21
    eugenol 399.64
    triacetin 535.53
    span 80 406.86
    1,4-butanediol 92.02
    1,1-dichloroethane 2176.6
    2-methyl-1-pentanol 360.84
    methyl formate 333.38
    2-methyl-1-butanol 486.16
    n-decane 323.75
    butyronitrile 1179.0
    3,7-dimethyl-1-octanol 443.12
    1-chlorooctane 760.0
    1-chlorotetradecane 311.91
    n-nonane 386.84
    undecane 236.58
    tert-butylcyclohexane 297.91
    cyclooctane 400.26
    cyclopentanol 634.84
    tetrahydropyran 2842.2
    tert-amyl methyl ether 793.61
    2,5,8-trioxanonane 803.04
    1-hexene 1497.85
    2-isopropoxyethanol 318.8
    2,2,2-trifluoroethanol 94.38
    methyl butyrate 960.17

    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