4-Phenyl-2-butenal

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  • Identifiers

    CAS number
    13910-23-1

    Molecular formula
    C10H10O

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 71.49%
    Sweet 71.06%
    Cinnamon 70.53%
    Green 62.43%
    Balsamic 50.2%
    Floral 46.04%
    Honey 41.8%
    Aldehydic 41.4%
    Herbal 41.35%
    Warm 39.72%

     

    Flavor
    Sweet 86.19%
    Green 72.94%
    Cinnamon 63.23%
    Floral 51.76%
    Hyacinth 50.86%
    Bitter 49.5%
    Spicy 47.76%
    Balsam 46.36%
    Spice 44.73%
    Honey 42.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.05 (neutral)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point

    • 115.88 ˚C est.

  • Synonyms

    • (E)-4-phenylbut-2-enal
    • 4-phenyl-2-butenal
    • (2E)-4-PHENYLBUT-2-ENAL
    • 13910-23-1
    • RefChem:1071398
    • 2-Butenal, 4-phenyl-
    • 4-PHENYLBUT-2-ENAL
    • 55177-35-0
    • 4-Phenylcrotonaldehyde
    • 4-phenyl-2-buten-1-al
    • (2E)-4-phenyl-2-butenal
    • (E)-4-phenyl-but-2-enal
    • SCHEMBL334261
    • SCHEMBL3132480
    • CHEBI:173612
    • WLNLUFZWBZXINT-SNAWJCMRSA-N
    • MFCD30068963
    • SY414826
    • EN300-1869571
    • 13910-23-1

  • Applications

    4-Phenyl-2-butenal (CAS 13910-23-1) is primarily used as an intermediate in organic synthesis, serving as a precursor for fragrance compounds and odorants in perfumery; it can also act as a building block for specialty chemicals used in cosmetics, coatings, and plastics; it may also be employed as a synthetic intermediate in polymer-related chemistry and other industrial applications, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 582.98
    methanol 497.45
    isopropanol 351.15
    water 0.28
    ethyl acetate 1761.42
    n-propanol 472.45
    acetone 1910.53
    n-butanol 333.21
    acetonitrile 989.4
    DMF 1293.07
    toluene 498.75
    isobutanol 287.25
    1,4-dioxane 1355.23
    methyl acetate 1435.99
    THF 1502.94
    2-butanone 1669.12
    n-pentanol 280.2
    sec-butanol 367.34
    n-hexane 47.89
    ethylene glycol 155.24
    NMP 1319.8
    cyclohexane 46.85
    DMSO 3226.83
    n-butyl acetate 741.86
    n-octanol 94.71
    chloroform 1353.49
    n-propyl acetate 808.37
    acetic acid 654.86
    dichloromethane 1869.02
    cyclohexanone 1353.49
    propylene glycol 227.97
    isopropyl acetate 646.78
    DMAc 1014.6
    2-ethoxyethanol 608.55
    isopentanol 293.18
    n-heptane 32.1
    ethyl formate 495.82
    1,2-dichloroethane 2032.75
    n-hexanol 288.02
    2-methoxyethanol 894.62
    isobutyl acetate 366.09
    tetrachloromethane 166.42
    n-pentyl acetate 256.82
    transcutol 4273.52
    n-heptanol 98.54
    ethylbenzene 237.37
    MIBK 497.83
    2-propoxyethanol 624.3
    tert-butanol 414.46
    MTBE 615.18
    2-butoxyethanol 268.64
    propionic acid 725.64
    o-xylene 247.65
    formic acid 215.97
    diethyl ether 959.58
    m-xylene 284.34
    p-xylene 238.75
    chlorobenzene 638.94
    dimethyl carbonate 472.17
    n-octane 9.01
    formamide 679.28
    cyclopentanone 1925.24
    2-pentanone 1146.18
    anisole 649.01
    cyclopentyl methyl ether 893.24
    gamma-butyrolactone 2075.07
    1-methoxy-2-propanol 666.5
    pyridine 1504.35
    3-pentanone 1008.64
    furfural 1284.94
    n-dodecane 6.49
    diethylene glycol 444.85
    diisopropyl ether 217.85
    tert-amyl alcohol 396.29
    acetylacetone 1277.48
    n-hexadecane 7.88
    acetophenone 534.98
    methyl propionate 1333.32
    isopentyl acetate 551.52
    trichloroethylene 3117.6
    n-nonanol 86.95
    cyclohexanol 324.74
    benzyl alcohol 369.16
    2-ethylhexanol 199.34
    isooctanol 89.31
    dipropyl ether 404.53
    1,2-dichlorobenzene 529.86
    ethyl lactate 227.03
    propylene carbonate 835.99
    n-methylformamide 978.83
    2-pentanol 263.87
    n-pentane 28.69
    1-propoxy-2-propanol 479.97
    1-methoxy-2-propyl acetate 686.16
    2-(2-methoxypropoxy) propanol 388.43
    mesitylene 148.91
    ε-caprolactone 1068.61
    p-cymene 103.77
    epichlorohydrin 2466.4
    1,1,1-trichloroethane 1147.31
    2-aminoethanol 315.75
    morpholine-4-carbaldehyde 1213.57
    sulfolane 2353.92
    2,2,4-trimethylpentane 23.71
    2-methyltetrahydrofuran 1467.98
    n-hexyl acetate 379.41
    isooctane 19.77
    2-(2-butoxyethoxy)ethanol 591.84
    sec-butyl acetate 468.26
    tert-butyl acetate 616.66
    decalin 47.94
    glycerin 299.16
    diglyme 1232.14
    acrylic acid 625.16
    isopropyl myristate 129.23
    n-butyric acid 690.79
    acetyl acetate 630.38
    di(2-ethylhexyl) phthalate 112.38
    ethyl propionate 714.19
    nitromethane 2243.75
    1,2-diethoxyethane 1041.39
    benzonitrile 483.9
    trioctyl phosphate 73.14
    1-bromopropane 679.4
    gamma-valerolactone 1722.51
    n-decanol 65.01
    triethyl phosphate 186.31
    4-methyl-2-pentanol 151.25
    propionitrile 644.73
    vinylene carbonate 673.78
    1,1,2-trichlorotrifluoroethane 1169.57
    DMS 544.12
    cumene 131.17
    2-octanol 60.57
    2-hexanone 746.77
    octyl acetate 154.69
    limonene 162.15
    1,2-dimethoxyethane 986.56
    ethyl orthosilicate 179.07
    tributyl phosphate 125.76
    diacetone alcohol 611.01
    N,N-dimethylaniline 306.27
    acrylonitrile 884.31
    aniline 639.49
    1,3-propanediol 370.74
    bromobenzene 692.01
    dibromomethane 1050.87
    1,1,2,2-tetrachloroethane 2177.86
    2-methyl-cyclohexyl acetate 309.66
    tetrabutyl urea 158.31
    diisobutyl methanol 121.87
    2-phenylethanol 309.59
    styrene 369.21
    dioctyl adipate 229.91
    dimethyl sulfate 795.34
    ethyl butyrate 514.94
    methyl lactate 348.01
    butyl lactate 217.28
    diethyl carbonate 323.63
    propanediol butyl ether 303.91
    triethyl orthoformate 296.84
    p-tert-butyltoluene 95.72
    methyl 4-tert-butylbenzoate 270.49
    morpholine 1689.21
    tert-butylamine 239.87
    n-dodecanol 49.35
    dimethoxymethane 965.15
    ethylene carbonate 536.88
    cyrene 311.58
    2-ethoxyethyl acetate 550.09
    2-ethylhexyl acetate 439.16
    1,2,4-trichlorobenzene 670.05
    4-methylpyridine 1136.91
    dibutyl ether 279.81
    2,6-dimethyl-4-heptanol 121.87
    DEF 1189.24
    dimethyl isosorbide 682.87
    tetrachloroethylene 1267.58
    eugenol 272.34
    triacetin 443.93
    span 80 264.55
    1,4-butanediol 146.89
    1,1-dichloroethane 1307.53
    2-methyl-1-pentanol 259.91
    methyl formate 682.68
    2-methyl-1-butanol 299.18
    n-decane 11.82
    butyronitrile 493.64
    3,7-dimethyl-1-octanol 144.75
    1-chlorooctane 89.38
    1-chlorotetradecane 31.32
    n-nonane 11.91
    undecane 8.58
    tert-butylcyclohexane 45.07
    cyclooctane 20.8
    cyclopentanol 364.92
    tetrahydropyran 1257.15
    tert-amyl methyl ether 462.66
    2,5,8-trioxanonane 712.96
    1-hexene 242.6
    2-isopropoxyethanol 432.72
    2,2,2-trifluoroethanol 229.06
    methyl butyrate 842.12

    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