(E)-5-Phenyl-2-pentenoic acid

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  • Identifiers

    CAS number
    55320-96-2

    Molecular formula
    C11H12O2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 72.41%
    Balsamic 66.33%
    Cinnamon 50.98%
    Honey 49.73%
    Spicy 49.3%
    Fatty 42.38%
    Floral 39.6%
    Powdery 30.53%
    Waxy 29.91%
    Cocoa 28.86%

     

    Flavor
    Sweet 81.84%
    Balsam 50.31%
    Honey 45.5%
    Waxy 44.65%
    Cinnamon 43.09%
    Floral 40.66%
    Fatty 36.64%
    Green 32.25%
    Balsamic 31.46%
    Oily 31.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.61 (neutral)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 171.89 ˚C est.

  • Synonyms

    • (E)-5-phenylpent-2-enoic acid
    • 55320-96-2
    • (E)-5-Phenyl-2-pentenoic acid
    • (2E)-5-phenylpent-2-enoic acid
    • MFCD18972297
    • 2-Pentenoic acid, 5-phenyl-, (E)-
    • 24271-22-5
    • 5-Phenyl-2E-pentenoic acid
    • SCHEMBL2856224
    • trans-5-phenyl-2-pentenoic acid
    • (2E)-5-Phenylpent-2-enoicacid,E
    • (2E)-5-Phenyl-2-pentenoic acid #
    • AKOS022397341
    • ST096358
    • SY221025
    • DB-310191
    • CS-0269911
    • CS-0369095
    • EN300-343718
    • F88016
    • EN300-1863235
    • 55320-96-2

  • Applications

    (E)-5-Phenyl-2-pentenoic acid, CAS 55320-96-2, is primarily used as an organic synthesis intermediate, especially for the construction of fragrance and flavor compounds; it is also a precursor to aryl-propionic acid derivatives relevant to pharmaceutical development; the compound can undergo conjugate (Michael) additions to form esters and amides; it can be converted into fragrance esters and cosmetic actives for personal care applications; in the plastics and coatings sector, it can be functionalized to access monomers or resin precursors for coatings and inks; and it is commonly considered in chemical research as a building block for intermediates used in pharmaceutical, agrochemical, and industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.38
    methanol 223.06
    isopropanol 60.82
    water 0.35
    ethyl acetate 100.79
    n-propanol 107.23
    acetone 184.04
    n-butanol 71.88
    acetonitrile 31.86
    DMF 380.85
    toluene 23.18
    isobutanol 58.02
    1,4-dioxane 108.24
    methyl acetate 90.1
    THF 247.61
    2-butanone 144.48
    n-pentanol 91.05
    sec-butanol 69.32
    n-hexane 3.46
    ethylene glycol 81.12
    NMP 324.93
    cyclohexane 0.75
    DMSO 743.6
    n-butyl acetate 91.82
    n-octanol 22.03
    chloroform 32.35
    n-propyl acetate 88.56
    acetic acid 109.23
    dichloromethane 24.4
    cyclohexanone 128.38
    propylene glycol 106.63
    isopropyl acetate 72.05
    DMAc 433.74
    2-ethoxyethanol 242.51
    isopentanol 73.81
    n-heptane 1.74
    ethyl formate 37.59
    1,2-dichloroethane 53.04
    n-hexanol 90.8
    2-methoxyethanol 283.9
    isobutyl acetate 60.62
    tetrachloromethane 6.87
    n-pentyl acetate 38.62
    transcutol 897.64
    n-heptanol 35.73
    ethylbenzene 20.47
    MIBK 95.34
    2-propoxyethanol 229.71
    tert-butanol 112.66
    MTBE 101.52
    2-butoxyethanol 109.83
    propionic acid 113.6
    o-xylene 22.74
    formic acid 85.06
    diethyl ether 58.76
    m-xylene 26.27
    p-xylene 21.53
    chlorobenzene 26.37
    dimethyl carbonate 68.8
    n-octane 0.76
    formamide 179.27
    cyclopentanone 244.1
    2-pentanone 123.64
    anisole 88.47
    cyclopentyl methyl ether 121.58
    gamma-butyrolactone 259.38
    1-methoxy-2-propanol 216.77
    pyridine 76.54
    3-pentanone 89.75
    furfural 163.74
    n-dodecane 0.83
    diethylene glycol 213.92
    diisopropyl ether 25.65
    tert-amyl alcohol 113.33
    acetylacetone 161.23
    n-hexadecane 0.98
    acetophenone 80.88
    methyl propionate 129.98
    isopentyl acetate 90.93
    trichloroethylene 111.73
    n-nonanol 21.85
    cyclohexanol 46.29
    benzyl alcohol 73.27
    2-ethylhexanol 47.21
    isooctanol 30.71
    dipropyl ether 47.99
    1,2-dichlorobenzene 31.58
    ethyl lactate 66.01
    propylene carbonate 97.29
    n-methylformamide 177.72
    2-pentanol 53.97
    n-pentane 0.95
    1-propoxy-2-propanol 147.48
    1-methoxy-2-propyl acetate 138.26
    2-(2-methoxypropoxy) propanol 136.15
    mesitylene 17.0
    ε-caprolactone 118.64
    p-cymene 14.96
    epichlorohydrin 228.65
    1,1,1-trichloroethane 34.13
    2-aminoethanol 156.94
    morpholine-4-carbaldehyde 268.47
    sulfolane 454.62
    2,2,4-trimethylpentane 3.04
    2-methyltetrahydrofuran 151.05
    n-hexyl acetate 56.85
    isooctane 2.77
    2-(2-butoxyethoxy)ethanol 207.65
    sec-butyl acetate 65.31
    tert-butyl acetate 116.07
    decalin 3.1
    glycerin 172.72
    diglyme 318.03
    acrylic acid 95.11
    isopropyl myristate 23.69
    n-butyric acid 102.5
    acetyl acetate 46.18
    di(2-ethylhexyl) phthalate 31.02
    ethyl propionate 77.65
    nitromethane 208.02
    1,2-diethoxyethane 140.79
    benzonitrile 44.84
    trioctyl phosphate 20.89
    1-bromopropane 16.63
    gamma-valerolactone 269.85
    n-decanol 17.93
    triethyl phosphate 35.86
    4-methyl-2-pentanol 44.42
    propionitrile 38.35
    vinylene carbonate 69.34
    1,1,2-trichlorotrifluoroethane 219.0
    DMS 69.79
    cumene 18.5
    2-octanol 18.76
    2-hexanone 112.83
    octyl acetate 31.39
    limonene 20.54
    1,2-dimethoxyethane 225.13
    ethyl orthosilicate 35.39
    tributyl phosphate 28.48
    diacetone alcohol 192.88
    N,N-dimethylaniline 65.6
    acrylonitrile 55.86
    aniline 59.96
    1,3-propanediol 132.05
    bromobenzene 20.27
    dibromomethane 14.64
    1,1,2,2-tetrachloroethane 115.55
    2-methyl-cyclohexyl acetate 57.65
    tetrabutyl urea 41.23
    diisobutyl methanol 27.87
    2-phenylethanol 73.84
    styrene 22.77
    dioctyl adipate 45.51
    dimethyl sulfate 154.32
    ethyl butyrate 62.92
    methyl lactate 100.97
    butyl lactate 58.85
    diethyl carbonate 41.13
    propanediol butyl ether 116.08
    triethyl orthoformate 47.35
    p-tert-butyltoluene 15.86
    methyl 4-tert-butylbenzoate 73.45
    morpholine 172.7
    tert-butylamine 51.81
    n-dodecanol 13.52
    dimethoxymethane 220.41
    ethylene carbonate 51.43
    cyrene 109.66
    2-ethoxyethyl acetate 82.7
    2-ethylhexyl acetate 64.62
    1,2,4-trichlorobenzene 51.23
    4-methylpyridine 80.15
    dibutyl ether 28.51
    2,6-dimethyl-4-heptanol 27.87
    DEF 153.27
    dimethyl isosorbide 198.19
    tetrachloroethylene 68.27
    eugenol 89.03
    triacetin 78.6
    span 80 97.2
    1,4-butanediol 73.37
    1,1-dichloroethane 28.27
    2-methyl-1-pentanol 91.51
    methyl formate 86.41
    2-methyl-1-butanol 70.46
    n-decane 1.25
    butyronitrile 32.94
    3,7-dimethyl-1-octanol 32.09
    1-chlorooctane 9.3
    1-chlorotetradecane 4.01
    n-nonane 1.08
    undecane 1.0
    tert-butylcyclohexane 5.25
    cyclooctane 0.5
    cyclopentanol 57.42
    tetrahydropyran 68.02
    tert-amyl methyl ether 91.59
    2,5,8-trioxanonane 223.96
    1-hexene 24.48
    2-isopropoxyethanol 175.22
    2,2,2-trifluoroethanol 37.81
    methyl butyrate 93.67

    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