2-Phenyl-4-pentenal

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  • Identifiers

    CAS number
    24401-36-3

    Molecular formula
    C11H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 70.92%
    Green 45.84%
    Floral 40.74%
    Sweet 32.23%
    Spicy 31.09%
    Balsamic 29.98%
    Herbal 28.73%
    Aldehydic 27.85%
    Cocoa 27.43%
    Bitter 26.36%

     

    Flavor
    Green 52.0%
    Floral 43.03%
    Sweet 40.59%
    Fresh 33.12%
    Cinnamon 29.74%
    Bitter 29.68%
    Hyacinth 29.34%
    Honey 28.72%
    Oily 27.55%
    Balsam 26.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.81 (weak acid)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 95.00 °C. @ 3.00 mm Hg

    Flash point

    • 110.86 ˚C est.

    Solubility expt.

    • Soluble in oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Phenyl-4-pentenal
    • 2-phenylpent-4-enal
    • 24401-36-3
    • Benzeneacetaldehyde, a-2-propen-1-yl-
    • FEMA No. 3519
    • 4-Pentenal, 2-phenyl-
    • Benzeneacetaldehyde, .alpha.-2-propenyl-
    • alpha-2-Propenylbenzeneacetaldehyde
    • EINECS 246-224-4
    • Benzeneacetaldehyde, alpha-2-propenyl-
    • C035830O9S
    • Benzeneacetaldehyde, alpha-2-propen-1-yl-
    • Benzeneacetaldehyde, .alpha.-2-propen-1-yl-
    • DTXSID00865151
    • 2-PHENYL-4-PENTENAL [FHFI]
    • (+/-)-2-PHENYL-4-PENTENAL
    • 2-PHENYL-4-PENTENAL, (+/-)-
    • UNII-C035830O9S
    • 2-phenyl-pent-4-enal
    • 4-Pentenal, 2-Phenyl
    • 2-Phenyl-4-pentenal #
    • SCHEMBL3402837
    • FEMA 3519
    • DTXCID80813594
    • CHEBI:196460
    • alpha-2-Propenyl-Benzeneacetaldehyde
    • a-2-Propenylbenzeneacetaldehyde, 9CI
    • Benzeneacetaldehyde,a-2-propen-1-yl-
    • alpha-2-Propen-1-yl-Benzeneacetaldehyde
    • NS00049216
    • EN300-378439
    • Q27274993
    • Z1416169093
    • 122800-80-0
    • 246-224-4

  • Applications

    2-Phenyl-4-pentenal (CAS 24401-36-3) is typically used as a fragrance and flavor chemistry intermediate, serving as a building block for aroma compounds and as a precursor in perfumery and cosmetic formulations. It can also act as a reactive intermediate in polymer and coating chemistries, enabling Michael-type additions or related condensations. In cosmetics/personal care and in household products, it may function as a fragrance ingredient or scent-active component, subject to formulation limits and local regulations. In industrial manufacturing, it is employed as a chemical intermediate to enable further synthesis of fragrance-related materials and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 522.57
    methanol 529.94
    isopropanol 353.59
    water 0.78
    ethyl acetate 514.08
    n-propanol 450.04
    acetone 615.34
    n-butanol 359.28
    acetonitrile 580.71
    DMF 1103.04
    toluene 215.85
    isobutanol 303.56
    1,4-dioxane 753.62
    methyl acetate 556.46
    THF 624.79
    2-butanone 541.55
    n-pentanol 233.67
    sec-butanol 278.7
    n-hexane 35.91
    ethylene glycol 126.55
    NMP 569.31
    cyclohexane 65.68
    DMSO 905.57
    n-butyl acetate 357.79
    n-octanol 109.19
    chloroform 1272.28
    n-propyl acetate 301.21
    acetic acid 334.04
    dichloromethane 1298.11
    cyclohexanone 706.72
    propylene glycol 159.0
    isopropyl acetate 226.36
    DMAc 570.24
    2-ethoxyethanol 275.62
    isopentanol 248.84
    n-heptane 34.11
    ethyl formate 353.4
    1,2-dichloroethane 961.93
    n-hexanol 321.47
    2-methoxyethanol 478.34
    isobutyl acetate 181.73
    tetrachloromethane 128.65
    n-pentyl acetate 133.51
    transcutol 1067.33
    n-heptanol 110.32
    ethylbenzene 134.9
    MIBK 215.46
    2-propoxyethanol 400.0
    tert-butanol 326.61
    MTBE 250.9
    2-butoxyethanol 191.51
    propionic acid 390.66
    o-xylene 127.92
    formic acid 93.6
    diethyl ether 383.9
    m-xylene 137.4
    p-xylene 136.91
    chlorobenzene 370.65
    dimethyl carbonate 187.37
    n-octane 15.41
    formamide 203.01
    cyclopentanone 690.9
    2-pentanone 404.42
    anisole 276.16
    cyclopentyl methyl ether 297.65
    gamma-butyrolactone 728.75
    1-methoxy-2-propanol 362.94
    pyridine 695.78
    3-pentanone 304.92
    furfural 592.97
    n-dodecane 13.95
    diethylene glycol 288.51
    diisopropyl ether 92.96
    tert-amyl alcohol 225.64
    acetylacetone 347.98
    n-hexadecane 15.71
    acetophenone 253.37
    methyl propionate 403.53
    isopentyl acetate 271.66
    trichloroethylene 1397.96
    n-nonanol 95.84
    cyclohexanol 272.3
    benzyl alcohol 208.09
    2-ethylhexanol 164.51
    isooctanol 91.0
    dipropyl ether 211.89
    1,2-dichlorobenzene 306.2
    ethyl lactate 139.5
    propylene carbonate 451.56
    n-methylformamide 490.76
    2-pentanol 198.24
    n-pentane 33.42
    1-propoxy-2-propanol 296.05
    1-methoxy-2-propyl acetate 279.4
    2-(2-methoxypropoxy) propanol 194.65
    mesitylene 87.39
    ε-caprolactone 491.33
    p-cymene 78.1
    epichlorohydrin 831.23
    1,1,1-trichloroethane 615.54
    2-aminoethanol 232.71
    morpholine-4-carbaldehyde 525.62
    sulfolane 734.48
    2,2,4-trimethylpentane 18.88
    2-methyltetrahydrofuran 460.93
    n-hexyl acetate 192.08
    isooctane 19.9
    2-(2-butoxyethoxy)ethanol 272.12
    sec-butyl acetate 174.38
    tert-butyl acetate 210.45
    decalin 37.85
    glycerin 182.4
    diglyme 534.72
    acrylic acid 304.76
    isopropyl myristate 88.84
    n-butyric acid 458.51
    acetyl acetate 231.39
    di(2-ethylhexyl) phthalate 78.91
    ethyl propionate 252.09
    nitromethane 709.68
    1,2-diethoxyethane 318.7
    benzonitrile 315.47
    trioctyl phosphate 61.87
    1-bromopropane 488.86
    gamma-valerolactone 696.59
    n-decanol 76.38
    triethyl phosphate 100.76
    4-methyl-2-pentanol 117.72
    propionitrile 490.73
    vinylene carbonate 419.74
    1,1,2-trichlorotrifluoroethane 455.38
    DMS 203.99
    cumene 88.68
    2-octanol 68.52
    2-hexanone 298.56
    octyl acetate 106.52
    limonene 113.77
    1,2-dimethoxyethane 506.87
    ethyl orthosilicate 96.0
    tributyl phosphate 76.42
    diacetone alcohol 253.92
    N,N-dimethylaniline 158.6
    acrylonitrile 584.75
    aniline 261.55
    1,3-propanediol 281.03
    bromobenzene 396.04
    dibromomethane 842.96
    1,1,2,2-tetrachloroethane 1060.54
    2-methyl-cyclohexyl acetate 161.27
    tetrabutyl urea 105.18
    diisobutyl methanol 99.01
    2-phenylethanol 206.71
    styrene 184.98
    dioctyl adipate 127.57
    dimethyl sulfate 254.98
    ethyl butyrate 253.52
    methyl lactate 178.98
    butyl lactate 126.58
    diethyl carbonate 179.45
    propanediol butyl ether 172.77
    triethyl orthoformate 150.83
    p-tert-butyltoluene 71.23
    methyl 4-tert-butylbenzoate 168.61
    morpholine 772.51
    tert-butylamine 204.6
    n-dodecanol 61.95
    dimethoxymethane 487.36
    ethylene carbonate 351.03
    cyrene 168.94
    2-ethoxyethyl acetate 193.65
    2-ethylhexyl acetate 199.61
    1,2,4-trichlorobenzene 318.83
    4-methylpyridine 531.34
    dibutyl ether 153.91
    2,6-dimethyl-4-heptanol 99.01
    DEF 452.74
    dimethyl isosorbide 302.0
    tetrachloroethylene 645.62
    eugenol 170.09
    triacetin 190.4
    span 80 156.23
    1,4-butanediol 119.42
    1,1-dichloroethane 834.03
    2-methyl-1-pentanol 182.24
    methyl formate 388.54
    2-methyl-1-butanol 240.61
    n-decane 20.84
    butyronitrile 425.95
    3,7-dimethyl-1-octanol 112.8
    1-chlorooctane 94.07
    1-chlorotetradecane 40.08
    n-nonane 20.86
    undecane 16.71
    tert-butylcyclohexane 34.97
    cyclooctane 21.96
    cyclopentanol 265.03
    tetrahydropyran 668.53
    tert-amyl methyl ether 170.74
    2,5,8-trioxanonane 340.46
    1-hexene 170.33
    2-isopropoxyethanol 198.81
    2,2,2-trifluoroethanol 122.27
    methyl butyrate 369.37

    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