2-Propenoic acid, 3-phenyl-, pentyl ester

  • Identifiers

    Molecular formula
    C14H18O2

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

  • Odor profile

    Fragrance
    Balsamic 85.66%
    Sweet 76.08%
    Fruity 66.78%
    Floral 57.74%
    Spicy 51.66%
    Cinnamon 46.78%
    Herbal 45.72%
    Cocoa 41.08%
    Honey 40.88%
    Rose 38.3%

     

    Flavor
    Balsam 49.7%
    Green 40.54%
    Floral 38.65%
    Amber 28.22%
    Orchid 27.0%
    Leaf 26.84%
    Fruity 26.78%
    Waxy 26.57%
    Honey 25.64%
    Chocolate 25.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.78 (neutral)

    Molecular weight
    218.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 149.49 ˚C est.

  • Synonyms

    • EINECS 222-478-1
    • AI3-24209
    • NSC 46140
    • 2-Propenoic acid, 3-phenyl-, pentyl ester
    • DTXSID7063051
    • cis-Amyl cinnamate
    • DTXCID5038913
    • SCHEMBL17629134
    • QDRJCWZGTMRXCL-KHPPLWFESA-N
    • Cinnamic acid, pentyl ester (8CI)
  • Applications

    2-Propenoic acid, 3-phenyl-, pentyl ester is commonly used as a fragrance ingredient and fixative in perfumery and personal care products to help extend the scent; it also serves as a flavor ingredient in certain flavor formulations and can be found in some household and cleaning products where a fragrance note is desired; in addition, it may be employed as an intermediate in the synthesis of other fragrance compounds and cinnamate derivatives. Use is subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1520.09
    methanol 2044.11
    isopropanol 550.46
    water 0.1
    ethyl acetate 2343.57
    n-propanol 956.61
    acetone 2492.51
    n-butanol 773.4
    acetonitrile 1797.6
    DMF 4322.09
    toluene 1158.42
    isobutanol 542.46
    1,4-dioxane 1510.1
    methyl acetate 1543.03
    THF 1862.44
    2-butanone 2006.6
    n-pentanol 483.15
    sec-butanol 559.2
    n-hexane 69.03
    ethylene glycol 145.26
    NMP 2262.04
    cyclohexane 104.42
    DMSO 3747.76
    n-butyl acetate 1010.0
    n-octanol 116.67
    chloroform 4111.88
    n-propyl acetate 985.02
    acetic acid 924.58
    dichloromethane 5506.32
    cyclohexanone 2098.04
    propylene glycol 222.6
    isopropyl acetate 982.85
    DMAc 2739.87
    2-ethoxyethanol 802.65
    isopentanol 611.1
    n-heptane 23.69
    ethyl formate 698.21
    1,2-dichloroethane 4667.81
    n-hexanol 439.17
    2-methoxyethanol 1521.03
    isobutyl acetate 493.34
    tetrachloromethane 242.02
    n-pentyl acetate 391.83
    transcutol 3645.69
    n-heptanol 134.37
    ethylbenzene 396.35
    MIBK 740.5
    2-propoxyethanol 864.9
    tert-butanol 564.65
    MTBE 914.57
    2-butoxyethanol 374.65
    propionic acid 700.53
    o-xylene 405.83
    formic acid 273.71
    diethyl ether 1725.11
    m-xylene 461.89
    p-xylene 390.92
    chlorobenzene 1442.62
    dimethyl carbonate 658.84
    n-octane 9.42
    formamide 770.19
    cyclopentanone 2271.48
    2-pentanone 1685.71
    anisole 932.35
    cyclopentyl methyl ether 1131.46
    gamma-butyrolactone 2224.98
    1-methoxy-2-propanol 1008.26
    pyridine 2735.07
    3-pentanone 1346.99
    furfural 1671.84
    n-dodecane 8.65
    diethylene glycol 553.01
    diisopropyl ether 283.89
    tert-amyl alcohol 535.05
    acetylacetone 1729.88
    n-hexadecane 10.42
    acetophenone 809.86
    methyl propionate 1812.76
    isopentyl acetate 802.88
    trichloroethylene 6829.79
    n-nonanol 110.3
    cyclohexanol 590.68
    benzyl alcohol 585.01
    2-ethylhexanol 261.74
    isooctanol 116.4
    dipropyl ether 397.91
    1,2-dichlorobenzene 1159.8
    ethyl lactate 287.77
    propylene carbonate 1068.44
    n-methylformamide 1521.06
    2-pentanol 443.96
    n-pentane 49.54
    1-propoxy-2-propanol 559.78
    1-methoxy-2-propyl acetate 845.2
    2-(2-methoxypropoxy) propanol 441.35
    mesitylene 210.62
    ε-caprolactone 1470.32
    p-cymene 133.81
    epichlorohydrin 3484.87
    1,1,1-trichloroethane 2015.88
    2-aminoethanol 415.13
    morpholine-4-carbaldehyde 1580.29
    sulfolane 2523.33
    2,2,4-trimethylpentane 31.98
    2-methyltetrahydrofuran 1453.37
    n-hexyl acetate 509.79
    isooctane 24.06
    2-(2-butoxyethoxy)ethanol 661.0
    sec-butyl acetate 588.32
    tert-butyl acetate 827.87
    decalin 65.92
    glycerin 289.61
    diglyme 1384.67
    acrylic acid 606.26
    isopropyl myristate 160.79
    n-butyric acid 1089.9
    acetyl acetate 972.47
    di(2-ethylhexyl) phthalate 160.3
    ethyl propionate 881.73
    nitromethane 2523.9
    1,2-diethoxyethane 1208.35
    benzonitrile 869.64
    trioctyl phosphate 99.4
    1-bromopropane 2019.21
    gamma-valerolactone 2192.35
    n-decanol 80.2
    triethyl phosphate 227.12
    4-methyl-2-pentanol 217.31
    propionitrile 1139.63
    vinylene carbonate 959.16
    1,1,2-trichlorotrifluoroethane 1496.38
    DMS 657.91
    cumene 188.71
    2-octanol 86.01
    2-hexanone 919.15
    octyl acetate 196.52
    limonene 214.51
    1,2-dimethoxyethane 1372.81
    ethyl orthosilicate 210.52
    tributyl phosphate 163.88
    diacetone alcohol 716.61
    N,N-dimethylaniline 482.1
    acrylonitrile 1647.55
    aniline 1045.86
    1,3-propanediol 569.12
    bromobenzene 1757.4
    dibromomethane 3405.76
    1,1,2,2-tetrachloroethane 5050.24
    2-methyl-cyclohexyl acetate 366.95
    tetrabutyl urea 225.67
    diisobutyl methanol 136.37
    2-phenylethanol 476.31
    styrene 681.75
    dioctyl adipate 271.12
    dimethyl sulfate 947.28
    ethyl butyrate 630.98
    methyl lactate 464.56
    butyl lactate 295.38
    diethyl carbonate 402.83
    propanediol butyl ether 335.3
    triethyl orthoformate 324.86
    p-tert-butyltoluene 123.57
    methyl 4-tert-butylbenzoate 350.77
    morpholine 2319.3
    tert-butylamine 342.11
    n-dodecanol 59.1
    dimethoxymethane 1900.89
    ethylene carbonate 795.48
    cyrene 361.52
    2-ethoxyethyl acetate 712.03
    2-ethylhexyl acetate 609.64
    1,2,4-trichlorobenzene 1348.76
    4-methylpyridine 2547.29
    dibutyl ether 327.11
    2,6-dimethyl-4-heptanol 136.37
    DEF 2201.23
    dimethyl isosorbide 754.41
    tetrachloroethylene 2569.73
    eugenol 381.89
    triacetin 498.13
    span 80 317.85
    1,4-butanediol 194.27
    1,1-dichloroethane 3135.82
    2-methyl-1-pentanol 473.58
    methyl formate 861.43
    2-methyl-1-butanol 636.08
    n-decane 13.93
    butyronitrile 1108.38
    3,7-dimethyl-1-octanol 174.4
    1-chlorooctane 122.58
    1-chlorotetradecane 41.61
    n-nonane 12.93
    undecane 10.44
    tert-butylcyclohexane 49.33
    cyclooctane 26.85
    cyclopentanol 489.26
    tetrahydropyran 1846.9
    tert-amyl methyl ether 671.69
    2,5,8-trioxanonane 844.34
    1-hexene 416.75
    2-isopropoxyethanol 532.73
    2,2,2-trifluoroethanol 230.73
    methyl butyrate 1231.3

    Scent© AI

1 of 4
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