Phenyl-2-pentene

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  • Identifiers

    CAS number
    27911-12-2

    Molecular formula
    C11H14

    SMILES
    CCC=CCC1=CC=CC=C1

    Retention indicies (RI)

    • Carbowax: 1528.0

  • Odor profile

    Green 67.07%
    Herbal 46.12%
    Fatty 36.94%
    Sweet 36.02%
    Gassy 35.93%
    Citrus 32.28%
    Leafy 28.86%
    Fresh 28.21%
    Vegetable 27.89%
    Oily 27.82%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point est.
    82.23 ˚C

  • Synonyms

    • 1-phenyl-2-pentene
    • 2-pentenylbenzene
    • phenyl-2-pentene
    • p-ethylallylbenzene
    • OLYAJUIZHQSQRP-UHFFFAOYSA-N
    • 1-[(2-ethyl)-2-propenyl]benzene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1049.75
    methanol 515.97
    isopropanol 740.43
    water 0.01
    ethyl acetate 3346.97
    n-propanol 951.86
    acetone 1915.21
    n-butanol 1076.91
    acetonitrile 1228.09
    DMF 728.1
    toluene 2393.62
    isobutanol 621.19
    1,4-dioxane 4156.67
    methyl acetate 1546.18
    THF 3958.23
    2-butanone 1973.84
    n-pentanol 749.68
    sec-butanol 849.97
    n-hexane 1565.85
    ethylene glycol 68.24
    NMP 586.97
    cyclohexane 1909.75
    DMSO 1419.37
    n-butyl acetate 3660.26
    n-octanol 353.91
    chloroform 3612.43
    n-propyl acetate 1381.52
    acetic acid 389.21
    dichloromethane 4239.85
    cyclohexanone 1915.97
    propylene glycol 142.77
    isopropyl acetate 1514.53
    DMAc 732.99
    2-ethoxyethanol 708.55
    isopentanol 874.65
    n-heptane 1189.71
    ethyl formate 635.47
    1,2-dichloroethane 3796.71
    n-hexanol 1560.76
    2-methoxyethanol 1006.53
    isobutyl acetate 815.09
    tetrachloromethane 645.81
    n-pentyl acetate 766.27
    transcutol 4377.64
    n-heptanol 364.5
    ethylbenzene 924.47
    MIBK 1053.57
    2-propoxyethanol 1472.35
    tert-butanol 961.6
    MTBE 2554.97
    2-butoxyethanol 496.59
    propionic acid 421.31
    o-xylene 788.41
    formic acid 42.61
    diethyl ether 5991.96
    m-xylene 1011.74
    p-xylene 747.01
    chlorobenzene 1400.92
    dimethyl carbonate 394.64
    n-octane 250.57
    formamide 101.03
    cyclopentanone 1584.65
    2-pentanone 2079.61
    anisole 1272.63
    cyclopentyl methyl ether 2374.04
    gamma-butyrolactone 1181.73
    1-methoxy-2-propanol 827.76
    pyridine 2853.92
    3-pentanone 1709.69
    furfural 824.74
    n-dodecane 112.97
    diethylene glycol 491.19
    diisopropyl ether 1414.93
    tert-amyl alcohol 853.71
    acetylacetone 1452.82
    n-hexadecane 137.05
    acetophenone 706.04
    methyl propionate 1545.35
    isopentyl acetate 2357.26
    trichloroethylene 3965.31
    n-nonanol 337.66
    cyclohexanol 940.64
    benzyl alcohol 464.25
    2-ethylhexanol 1278.36
    isooctanol 314.98
    dipropyl ether 4352.36
    1,2-dichlorobenzene 940.42
    ethyl lactate 222.43
    propylene carbonate 745.26
    n-methylformamide 306.36
    2-pentanol 885.58
    n-pentane 1063.36
    1-propoxy-2-propanol 1382.55
    1-methoxy-2-propyl acetate 1761.93
    2-(2-methoxypropoxy) propanol 566.58
    mesitylene 580.67
    ε-caprolactone 1448.4
    p-cymene 529.9
    epichlorohydrin 2571.37
    1,1,1-trichloroethane 2643.29
    2-aminoethanol 181.76
    morpholine-4-carbaldehyde 978.67
    sulfolane 1201.72
    2,2,4-trimethylpentane 262.47
    2-methyltetrahydrofuran 3325.27
    n-hexyl acetate 976.18
    isooctane 242.94
    2-(2-butoxyethoxy)ethanol 843.51
    sec-butyl acetate 929.82
    tert-butyl acetate 1387.83
    decalin 506.23
    glycerin 145.69
    diglyme 1960.93
    acrylic acid 240.66
    isopropyl myristate 446.41
    n-butyric acid 977.93
    acetyl acetate 1120.45
    di(2-ethylhexyl) phthalate 252.78
    ethyl propionate 1282.85
    nitromethane 770.4
    1,2-diethoxyethane 4385.05
    benzonitrile 679.95
    trioctyl phosphate 185.9
    1-bromopropane 3781.37
    gamma-valerolactone 1382.87
    n-decanol 260.3
    triethyl phosphate 448.72
    4-methyl-2-pentanol 452.7
    propionitrile 1153.17
    vinylene carbonate 569.58
    1,1,2-trichlorotrifluoroethane 835.41
    DMS 701.9
    cumene 448.47
    2-octanol 245.74
    2-hexanone 1438.15
    octyl acetate 474.27
    limonene 1097.32
    1,2-dimethoxyethane 2023.44
    ethyl orthosilicate 521.39
    tributyl phosphate 284.51
    diacetone alcohol 745.65
    N,N-dimethylaniline 608.19
    acrylonitrile 875.7
    aniline 1082.62
    1,3-propanediol 342.02
    bromobenzene 1979.27
    dibromomethane 3585.61
    1,1,2,2-tetrachloroethane 3017.7
    2-methyl-cyclohexyl acetate 857.64
    tetrabutyl urea 370.7
    diisobutyl methanol 654.61
    2-phenylethanol 782.55
    styrene 1329.01
    dioctyl adipate 518.17
    dimethyl sulfate 418.37
    ethyl butyrate 2327.84
    methyl lactate 240.03
    butyl lactate 303.17
    diethyl carbonate 1074.74
    propanediol butyl ether 290.05
    triethyl orthoformate 1165.39
    p-tert-butyltoluene 494.6
    methyl 4-tert-butylbenzoate 418.51
    morpholine 3645.77
    tert-butylamine 952.5
    n-dodecanol 220.29
    dimethoxymethane 1554.67
    ethylene carbonate 616.29
    cyrene 301.67
    2-ethoxyethyl acetate 1109.63
    2-ethylhexyl acetate 2073.6
    1,2,4-trichlorobenzene 999.38
    4-methylpyridine 2283.57
    dibutyl ether 2104.2
    2,6-dimethyl-4-heptanol 654.61
    DEF 1761.31
    dimethyl isosorbide 1056.13
    tetrachloroethylene 1858.52
    eugenol 362.81
    triacetin 652.84
    span 80 499.84
    1,4-butanediol 113.03
    1,1-dichloroethane 2830.93
    2-methyl-1-pentanol 696.48
    methyl formate 250.98
    2-methyl-1-butanol 833.8
    n-decane 222.17
    butyronitrile 1462.72
    3,7-dimethyl-1-octanol 514.98
    1-chlorooctane 652.35
    1-chlorotetradecane 242.1
    n-nonane 271.54
    undecane 150.81
    tert-butylcyclohexane 407.37
    cyclooctane 729.92
    cyclopentanol 565.46
    tetrahydropyran 5172.88
    tert-amyl methyl ether 1732.76
    2,5,8-trioxanonane 1129.66
    1-hexene 3279.15
    2-isopropoxyethanol 562.0
    2,2,2-trifluoroethanol 64.35
    methyl butyrate 1380.01

    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 0.78%