1-Phenyl-2-butene

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  • Identifiers

    CAS number
    1560-06-1

    Molecular formula
    C10H12

    SMILES
    C/C=C/CC1=CC=CC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Green 68.66%
    Herbal 53.96%
    Sweet 47.23%
    Spicy 37.21%
    Leafy 33.09%
    Earthy 31.53%
    Citrus 31.28%
    Vegetable 30.77%
    Fresh 30.65%
    Woody 30.24%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    186°C

    Flash point est.
    63.61 ˚C

  • Synonyms

    • 1-Phenyl-2-butene
    • Benzene, 2-butenyl-
    • 1-Phenylbutene-2
    • 2-Butene, 1-phenyl-
    • 4-Phenyl-2-butene
    • 1560-06-1
    • [(E)-but-2-enyl]benzene
    • 1-Phenylbut-2-ene
    • (E)-1-Phenyl-2-butene
    • 935-00-2
    • EINECS 216-328-4
    • 7UF46BAB8U
    • NSC 65602
    • BRN 2037620
    • NSC-65602
    • Benzene, 2-buten-1-yl-
    • 3-05-00-01207 (Beilstein Handbook Reference)
    • 2-Butenylbenzene #
    • ((E)-but-2-enyl)benzene
    • UNII-7UF46BAB8U
    • DTXSID50862433
    • 2-butenylbenzene
    • NSC65602
    • but-2-en-1-ylbenzene
    • Benzene, 2-butenyl-(9CI)
    • Benzene, 2-butenyl-, trans
    • [(E)-but-2-enyl]-benzene
    • WLN: 2U2R
    • (E)-But-2-en-1-ylbenzene
    • DTXCID001510715
    • Q27268867
    • 216-328-4

  • Applications

    1-Phenyl-2-butene (CAS 1560-06-1) is an aromatic olefin used primarily as a synthetic intermediate: a precursor to phenylbutanols, phenylbutanones, and phenylbutanals for pharmaceuticals, flavors/fragrances, and agrochemicals; it can be hydrogenated to n-butylbenzene as a solvent or feedstock; hydroformylated to phenylbutanal; epoxidized or dihydroxylated to versatile epoxides and diols; and engaged in carbon-framework and functional-group-building reactions such as Heck coupling, olefin metathesis, Wacker oxidation, and hydroboration–oxidation; it also serves as a model substrate to benchmark homogeneous and heterogeneous catalysts (e.g., asymmetric hydrogenation, selective oxidation, zeolite acidity tests) and as a specialty comonomer to tailor styrenic resin properties; additionally, it is used in petrochemical research to probe addition, rearrangement, and isomerization pathways on acid/metal surfaces; it is a volatile, flammable liquid and should be stored tightly closed, away from heat, ignition sources, and strong oxidants.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 686.36
    methanol 240.72
    isopropanol 595.96
    water 0.03
    ethyl acetate 1879.15
    n-propanol 685.64
    acetone 1345.42
    n-butanol 763.25
    acetonitrile 993.87
    DMF 643.82
    toluene 1307.74
    isobutanol 494.06
    1,4-dioxane 2581.68
    methyl acetate 1241.03
    THF 2497.06
    2-butanone 1478.92
    n-pentanol 503.64
    sec-butanol 697.87
    n-hexane 953.76
    ethylene glycol 63.65
    NMP 537.09
    cyclohexane 1050.92
    DMSO 1027.8
    n-butyl acetate 2200.49
    n-octanol 354.34
    chloroform 2741.66
    n-propyl acetate 907.44
    acetic acid 316.66
    dichloromethane 2930.81
    cyclohexanone 1338.05
    propylene glycol 150.85
    isopropyl acetate 832.58
    DMAc 598.1
    2-ethoxyethanol 422.42
    isopentanol 583.85
    n-heptane 956.35
    ethyl formate 505.49
    1,2-dichloroethane 2307.19
    n-hexanol 1170.57
    2-methoxyethanol 584.01
    isobutyl acetate 526.93
    tetrachloromethane 535.75
    n-pentyl acetate 513.09
    transcutol 2393.37
    n-heptanol 354.49
    ethylbenzene 622.91
    MIBK 652.58
    2-propoxyethanol 959.18
    tert-butanol 798.75
    MTBE 1483.5
    2-butoxyethanol 382.56
    propionic acid 392.56
    o-xylene 520.51
    formic acid 30.78
    diethyl ether 2827.03
    m-xylene 623.64
    p-xylene 550.38
    chlorobenzene 927.12
    dimethyl carbonate 325.79
    n-octane 222.51
    formamide 71.83
    cyclopentanone 1267.35
    2-pentanone 1282.38
    anisole 833.41
    cyclopentyl methyl ether 1398.93
    gamma-butyrolactone 1058.32
    1-methoxy-2-propanol 565.84
    pyridine 1817.21
    3-pentanone 1131.73
    furfural 670.88
    n-dodecane 114.13
    diethylene glycol 354.45
    diisopropyl ether 674.88
    tert-amyl alcohol 690.17
    acetylacetone 934.32
    n-hexadecane 133.3
    acetophenone 506.13
    methyl propionate 991.18
    isopentyl acetate 1417.02
    trichloroethylene 2692.92
    n-nonanol 311.85
    cyclohexanol 662.78
    benzyl alcohol 336.98
    2-ethylhexanol 921.15
    isooctanol 279.25
    dipropyl ether 2532.26
    1,2-dichlorobenzene 637.64
    ethyl lactate 202.23
    propylene carbonate 685.45
    n-methylformamide 244.55
    2-pentanol 622.22
    n-pentane 652.0
    1-propoxy-2-propanol 980.25
    1-methoxy-2-propyl acetate 1069.7
    2-(2-methoxypropoxy) propanol 439.86
    mesitylene 370.41
    ε-caprolactone 1028.66
    p-cymene 402.83
    epichlorohydrin 1815.11
    1,1,1-trichloroethane 1981.44
    2-aminoethanol 152.48
    morpholine-4-carbaldehyde 714.12
    sulfolane 1046.61
    2,2,4-trimethylpentane 186.24
    2-methyltetrahydrofuran 2283.47
    n-hexyl acetate 710.02
    isooctane 173.1
    2-(2-butoxyethoxy)ethanol 607.97
    sec-butyl acetate 599.95
    tert-butyl acetate 789.94
    decalin 331.2
    glycerin 134.47
    diglyme 1249.34
    acrylic acid 246.87
    isopropyl myristate 348.42
    n-butyric acid 732.29
    acetyl acetate 724.36
    di(2-ethylhexyl) phthalate 208.49
    ethyl propionate 838.19
    nitromethane 639.85
    1,2-diethoxyethane 2026.48
    benzonitrile 507.36
    trioctyl phosphate 160.5
    1-bromopropane 2304.38
    gamma-valerolactone 1010.54
    n-decanol 246.29
    triethyl phosphate 307.37
    4-methyl-2-pentanol 317.71
    propionitrile 943.56
    vinylene carbonate 530.47
    1,1,2-trichlorotrifluoroethane 636.76
    DMS 514.31
    cumene 322.85
    2-octanol 236.16
    2-hexanone 953.98
    octyl acetate 376.11
    limonene 750.01
    1,2-dimethoxyethane 1172.2
    ethyl orthosilicate 339.02
    tributyl phosphate 219.07
    diacetone alcohol 532.66
    N,N-dimethylaniline 446.62
    acrylonitrile 726.62
    aniline 683.02
    1,3-propanediol 236.69
    bromobenzene 1280.32
    dibromomethane 2441.79
    1,1,2,2-tetrachloroethane 2108.7
    2-methyl-cyclohexyl acetate 568.03
    tetrabutyl urea 306.83
    diisobutyl methanol 490.26
    2-phenylethanol 533.98
    styrene 823.39
    dioctyl adipate 392.48
    dimethyl sulfate 381.47
    ethyl butyrate 1340.24
    methyl lactate 211.18
    butyl lactate 244.95
    diethyl carbonate 699.61
    propanediol butyl ether 262.67
    triethyl orthoformate 705.33
    p-tert-butyltoluene 379.59
    methyl 4-tert-butylbenzoate 385.09
    morpholine 2215.06
    tert-butylamine 698.63
    n-dodecanol 211.99
    dimethoxymethane 903.7
    ethylene carbonate 531.33
    cyrene 262.8
    2-ethoxyethyl acetate 680.56
    2-ethylhexyl acetate 1209.21
    1,2,4-trichlorobenzene 696.96
    4-methylpyridine 1407.76
    dibutyl ether 1205.4
    2,6-dimethyl-4-heptanol 490.26
    DEF 1057.57
    dimethyl isosorbide 736.72
    tetrachloroethylene 1242.6
    eugenol 315.66
    triacetin 492.98
    span 80 403.57
    1,4-butanediol 92.18
    1,1-dichloroethane 2037.73
    2-methyl-1-pentanol 454.3
    methyl formate 209.91
    2-methyl-1-butanol 604.94
    n-decane 202.58
    butyronitrile 1106.53
    3,7-dimethyl-1-octanol 422.56
    1-chlorooctane 538.91
    1-chlorotetradecane 212.65
    n-nonane 247.38
    undecane 145.72
    tert-butylcyclohexane 283.35
    cyclooctane 432.11
    cyclopentanol 483.22
    tetrahydropyran 3029.56
    tert-amyl methyl ether 966.78
    2,5,8-trioxanonane 787.63
    1-hexene 1980.16
    2-isopropoxyethanol 371.86
    2,2,2-trifluoroethanol 68.99
    methyl butyrate 940.77

    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

Botanical

Name CAS Botanical Proportion
Alpinia japonica Alpinia japonica Miq., fam. Zingiberaceae 0.3%
Amomum villosum (China) 1d Amomum villosum Lour., fam. Zingiberaceae 0.8%
Amomum villosum (China) 1e Amomum villosum Lour., fam. Zingiberaceae 2.0%
Amomum villosum (China) 1b Amomum villosum Lour., fam. Zingiberaceae 1.0%
Thymus sibthorpii (Turkey) Thymus sibthorpii Bentham, fam. Lamiaceae (Labiatae) 0.02%