trans-1-Phenyl-1-pentene

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  • Identifiers

    CAS number
    826-18-6

    Molecular formula
    C11H14

    SMILES
    CCC/C=C/C1=CC=CC=C1

    Retention indicies (RI)

    • Carbowax: 1493.0

  • Odor profile

    Green 57.77%
    Herbal 51.27%
    Sweet 40.61%
    Spicy 37.0%
    Gassy 34.55%
    Citrus 33.8%
    Fatty 33.62%
    Woody 31.45%
    Oily 29.41%
    Balsamic 28.74%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point est.
    83.27 ˚C

  • Synonyms

    • trans-1-Phenyl-1-pentene
    • 16002-93-0
    • Pentenylbenzene
    • 1-Pentenylbenzene
    • [(E)-pent-1-enyl]benzene
    • Benzene, (1E)-1-penten-1-yl-
    • 826-18-6
    • Benzene, 1-pentenyl-
    • 1-Pentene, 1-phenyl-
    • 1-Phenylpentene
    • (1E)-1-Pentenylbenzene
    • (E)-Pent-1-en-1-ylbenzene
    • 1-Phenyl-1-pentene
    • 52181-77-8
    • pent-1-en-1-ylbenzene
    • (e)-1-phenyl-1-pentene
    • EINECS 212-553-7
    • EINECS 257-711-6
    • (1E)-1-Penten-1-ylbenzene
    • [(1E)-pent-1-en-1-yl]benzene
    • AKOS024262867
    • NS00122832

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1397.32
    methanol 658.34
    isopropanol 1126.54
    water 0.01
    ethyl acetate 4360.14
    n-propanol 1303.68
    acetone 3717.38
    n-butanol 1542.75
    acetonitrile 1676.69
    DMF 1652.65
    toluene 3179.27
    isobutanol 973.27
    1,4-dioxane 5035.73
    methyl acetate 2323.92
    THF 6234.49
    2-butanone 3201.59
    n-pentanol 1018.63
    sec-butanol 1286.12
    n-hexane 2421.47
    ethylene glycol 84.56
    NMP 1206.29
    cyclohexane 2697.48
    DMSO 2317.12
    n-butyl acetate 5497.84
    n-octanol 585.83
    chloroform 4679.56
    n-propyl acetate 1921.51
    acetic acid 558.95
    dichloromethane 5696.4
    cyclohexanone 3276.12
    propylene glycol 197.02
    isopropyl acetate 2114.24
    DMAc 1330.69
    2-ethoxyethanol 885.85
    isopentanol 1290.09
    n-heptane 1773.34
    ethyl formate 931.44
    1,2-dichloroethane 5404.77
    n-hexanol 2343.07
    2-methoxyethanol 1380.31
    isobutyl acetate 1174.64
    tetrachloromethane 830.05
    n-pentyl acetate 1193.06
    transcutol 5466.77
    n-heptanol 566.97
    ethylbenzene 1295.31
    MIBK 1680.33
    2-propoxyethanol 2064.9
    tert-butanol 1551.32
    MTBE 3815.42
    2-butoxyethanol 721.69
    propionic acid 616.04
    o-xylene 1032.12
    formic acid 45.61
    diethyl ether 7625.94
    m-xylene 1391.73
    p-xylene 1043.85
    chlorobenzene 2024.27
    dimethyl carbonate 639.93
    n-octane 402.04
    formamide 124.93
    cyclopentanone 3002.0
    2-pentanone 3483.14
    anisole 1663.54
    cyclopentyl methyl ether 3693.59
    gamma-butyrolactone 2039.32
    1-methoxy-2-propanol 1266.68
    pyridine 4002.58
    3-pentanone 2541.69
    furfural 1246.5
    n-dodecane 186.46
    diethylene glycol 636.65
    diisopropyl ether 1860.7
    tert-amyl alcohol 1336.97
    acetylacetone 2270.75
    n-hexadecane 224.3
    acetophenone 986.87
    methyl propionate 2306.21
    isopentyl acetate 3470.02
    trichloroethylene 5849.42
    n-nonanol 539.27
    cyclohexanol 1424.36
    benzyl alcohol 659.83
    2-ethylhexanol 1997.77
    isooctanol 480.45
    dipropyl ether 5772.36
    1,2-dichlorobenzene 1322.18
    ethyl lactate 322.95
    propylene carbonate 1179.27
    n-methylformamide 511.48
    2-pentanol 1344.89
    n-pentane 1590.66
    1-propoxy-2-propanol 2044.0
    1-methoxy-2-propyl acetate 2431.92
    2-(2-methoxypropoxy) propanol 746.51
    mesitylene 793.29
    ε-caprolactone 2284.56
    p-cymene 750.96
    epichlorohydrin 3955.02
    1,1,1-trichloroethane 3795.26
    2-aminoethanol 228.3
    morpholine-4-carbaldehyde 1459.06
    sulfolane 2181.62
    2,2,4-trimethylpentane 373.27
    2-methyltetrahydrofuran 5280.94
    n-hexyl acetate 1598.23
    isooctane 351.19
    2-(2-butoxyethoxy)ethanol 1114.36
    sec-butyl acetate 1279.67
    tert-butyl acetate 1936.64
    decalin 718.41
    glycerin 182.43
    diglyme 2467.61
    acrylic acid 356.74
    isopropyl myristate 674.26
    n-butyric acid 1490.4
    acetyl acetate 1431.18
    di(2-ethylhexyl) phthalate 352.14
    ethyl propionate 1777.63
    nitromethane 1185.25
    1,2-diethoxyethane 5284.31
    benzonitrile 1016.28
    trioctyl phosphate 287.2
    1-bromopropane 5225.81
    gamma-valerolactone 2216.44
    n-decanol 416.87
    triethyl phosphate 581.33
    4-methyl-2-pentanol 635.34
    propionitrile 1608.14
    vinylene carbonate 854.52
    1,1,2-trichlorotrifluoroethane 1183.86
    DMS 1018.32
    cumene 629.45
    2-octanol 394.19
    2-hexanone 2237.42
    octyl acetate 725.34
    limonene 1599.59
    1,2-dimethoxyethane 2657.73
    ethyl orthosilicate 646.07
    tributyl phosphate 422.04
    diacetone alcohol 1111.91
    N,N-dimethylaniline 865.34
    acrylonitrile 1273.94
    aniline 1532.8
    1,3-propanediol 454.25
    bromobenzene 2897.84
    dibromomethane 4719.46
    1,1,2,2-tetrachloroethane 4340.96
    2-methyl-cyclohexyl acetate 1154.43
    tetrabutyl urea 581.78
    diisobutyl methanol 904.64
    2-phenylethanol 1087.71
    styrene 1832.69
    dioctyl adipate 735.48
    dimethyl sulfate 669.64
    ethyl butyrate 2993.74
    methyl lactate 357.42
    butyl lactate 473.4
    diethyl carbonate 1393.61
    propanediol butyl ether 436.1
    triethyl orthoformate 1476.04
    p-tert-butyltoluene 712.71
    methyl 4-tert-butylbenzoate 591.96
    morpholine 4911.03
    tert-butylamine 1483.09
    n-dodecanol 345.72
    dimethoxymethane 2485.46
    ethylene carbonate 905.71
    cyrene 415.56
    2-ethoxyethyl acetate 1554.14
    2-ethylhexyl acetate 2945.9
    1,2,4-trichlorobenzene 1400.87
    4-methylpyridine 3527.93
    dibutyl ether 3078.52
    2,6-dimethyl-4-heptanol 904.64
    DEF 2761.39
    dimethyl isosorbide 1397.76
    tetrachloroethylene 2606.34
    eugenol 498.93
    triacetin 910.46
    span 80 697.55
    1,4-butanediol 152.28
    1,1-dichloroethane 4391.75
    2-methyl-1-pentanol 1008.86
    methyl formate 432.03
    2-methyl-1-butanol 1243.98
    n-decane 363.27
    butyronitrile 2197.04
    3,7-dimethyl-1-octanol 801.47
    1-chlorooctane 1031.86
    1-chlorotetradecane 376.12
    n-nonane 450.98
    undecane 248.15
    tert-butylcyclohexane 579.71
    cyclooctane 1013.27
    cyclopentanol 961.58
    tetrahydropyran 7268.65
    tert-amyl methyl ether 2382.43
    2,5,8-trioxanonane 1399.96
    1-hexene 4893.06
    2-isopropoxyethanol 738.87
    2,2,2-trifluoroethanol 90.48
    methyl butyrate 2011.58

    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
Geum montanum root Geum montanum L., fam. Rosaceae 0.19%