3-Phenyl-2-butenal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1196-67-4

    Molecular formula
    C10H10O

    SMILES
    CC(=CC=O)C1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Sweet 81.55%
    Spicy 70.13%
    Cinnamon 64.92%
    Floral 59.16%
    Balsamic 56.58%
    Powdery 49.58%
    Warm 44.56%
    Herbal 44.08%
    Nutty 43.35%
    Almond 43.08%

     

    Flavor
    Sweet 73.93%
    Cinnamon 50.47%
    Cherry 42.63%
    Balsam 41.63%
    Spicy 39.9%
    Nutty 38.73%
    Almond 36.79%
    Honey 36.36%
    Cocoa 34.09%
    Spice 33.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.1 (neutral)

    Molecular weight
    146.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 101.38 ˚C est.

  • Synonyms

    • 3-Phenyl-2-butenal
    • 2-Butenal, 3-phenyl-
    • 1196-67-4
    • DTXSID701316192
    • RefChem:1068477
    • DTXCID601746055
    • 3-phenylbut-2-enal
    • (E)-3-Phenyl-2-butenal
    • 21866-70-6
    • SCHEMBL186779
    • SCHEMBL262234
    • SCHEMBL28209452
    • MFCD01736615
    • 1196-67-4

  • Applications

    3-Phenyl-2-butenal (CAS 1196-67-4) is primarily used as an intermediate in organic synthesis for aroma- and flavor-related compounds. It may serve as a building block for fragrance materials in perfumery and as a precursor for aroma compounds in flavor chemistry. In cosmetics/personal care and in household products, it may be employed as a fragrance ingredient or odorant. In industrial manufacturing, it can act as a building block for specialty chemicals and for fragrance-release formulations. It may also be encountered in coatings/inks or adhesives as a source of scent components. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 788.76
    methanol 654.38
    isopropanol 506.87
    water 0.89
    ethyl acetate 2534.09
    n-propanol 683.37
    acetone 4572.74
    n-butanol 426.01
    acetonitrile 3383.96
    DMF 3219.18
    toluene 1016.33
    isobutanol 390.52
    1,4-dioxane 3269.93
    methyl acetate 3002.38
    THF 3535.54
    2-butanone 3476.71
    n-pentanol 311.21
    sec-butanol 476.59
    n-hexane 81.07
    ethylene glycol 201.22
    NMP 3756.53
    cyclohexane 118.94
    DMSO 6342.84
    n-butyl acetate 995.35
    n-octanol 151.9
    chloroform 3610.1
    n-propyl acetate 1122.24
    acetic acid 924.04
    dichloromethane 5560.42
    cyclohexanone 3181.05
    propylene glycol 213.35
    isopropyl acetate 812.22
    DMAc 1716.11
    2-ethoxyethanol 734.95
    isopentanol 324.39
    n-heptane 50.05
    ethyl formate 1114.74
    1,2-dichloroethane 4845.38
    n-hexanol 336.43
    2-methoxyethanol 1192.72
    isobutyl acetate 422.55
    tetrachloromethane 466.89
    n-pentyl acetate 421.77
    transcutol 3771.68
    n-heptanol 135.07
    ethylbenzene 434.99
    MIBK 613.59
    2-propoxyethanol 739.17
    tert-butanol 508.39
    MTBE 772.26
    2-butoxyethanol 348.05
    propionic acid 1076.81
    o-xylene 431.93
    formic acid 315.73
    diethyl ether 1670.61
    m-xylene 451.14
    p-xylene 449.34
    chlorobenzene 1445.05
    dimethyl carbonate 826.46
    n-octane 15.35
    formamide 1251.67
    cyclopentanone 4652.19
    2-pentanone 1909.81
    anisole 1065.58
    cyclopentyl methyl ether 1658.82
    gamma-butyrolactone 5189.05
    1-methoxy-2-propanol 772.94
    pyridine 3231.0
    3-pentanone 1846.02
    furfural 2672.29
    n-dodecane 10.2
    diethylene glycol 509.4
    diisopropyl ether 241.91
    tert-amyl alcohol 442.44
    acetylacetone 2015.96
    n-hexadecane 12.58
    acetophenone 916.95
    methyl propionate 2189.3
    isopentyl acetate 677.8
    trichloroethylene 7015.6
    n-nonanol 123.91
    cyclohexanol 530.22
    benzyl alcohol 545.96
    2-ethylhexanol 214.69
    isooctanol 108.71
    dipropyl ether 458.83
    1,2-dichlorobenzene 1136.18
    ethyl lactate 264.06
    propylene carbonate 1724.87
    n-methylformamide 2343.79
    2-pentanol 304.05
    n-pentane 58.43
    1-propoxy-2-propanol 502.88
    1-methoxy-2-propyl acetate 845.5
    2-(2-methoxypropoxy) propanol 381.3
    mesitylene 214.35
    ε-caprolactone 2313.14
    p-cymene 151.01
    epichlorohydrin 5680.3
    1,1,1-trichloroethane 2760.94
    2-aminoethanol 388.3
    morpholine-4-carbaldehyde 2460.31
    sulfolane 4995.57
    2,2,4-trimethylpentane 27.09
    2-methyltetrahydrofuran 3158.24
    n-hexyl acetate 637.03
    isooctane 21.11
    2-(2-butoxyethoxy)ethanol 621.5
    sec-butyl acetate 560.31
    tert-butyl acetate 700.63
    decalin 68.41
    glycerin 271.41
    diglyme 1586.4
    acrylic acid 999.86
    isopropyl myristate 174.28
    n-butyric acid 898.41
    acetyl acetate 893.94
    di(2-ethylhexyl) phthalate 137.51
    ethyl propionate 982.4
    nitromethane 4891.87
    1,2-diethoxyethane 1065.25
    benzonitrile 994.87
    trioctyl phosphate 100.65
    1-bromopropane 1601.67
    gamma-valerolactone 3924.45
    n-decanol 89.44
    triethyl phosphate 229.79
    4-methyl-2-pentanol 141.34
    propionitrile 1519.06
    vinylene carbonate 1378.39
    1,1,2-trichlorotrifluoroethane 1582.86
    DMS 845.53
    cumene 192.68
    2-octanol 93.72
    2-hexanone 1194.09
    octyl acetate 228.25
    limonene 232.35
    1,2-dimethoxyethane 1523.8
    ethyl orthosilicate 203.85
    tributyl phosphate 157.07
    diacetone alcohol 698.28
    N,N-dimethylaniline 459.45
    acrylonitrile 2227.01
    aniline 1094.02
    1,3-propanediol 483.1
    bromobenzene 1539.24
    dibromomethane 3151.4
    1,1,2,2-tetrachloroethane 4066.93
    2-methyl-cyclohexyl acetate 372.34
    tetrabutyl urea 208.99
    diisobutyl methanol 120.81
    2-phenylethanol 440.25
    styrene 652.08
    dioctyl adipate 275.85
    dimethyl sulfate 1310.11
    ethyl butyrate 651.26
    methyl lactate 466.03
    butyl lactate 272.26
    diethyl carbonate 409.94
    propanediol butyl ether 349.48
    triethyl orthoformate 318.81
    p-tert-butyltoluene 136.94
    methyl 4-tert-butylbenzoate 371.58
    morpholine 3391.4
    tert-butylamine 294.28
    n-dodecanol 64.96
    dimethoxymethane 1606.53
    ethylene carbonate 1117.1
    cyrene 415.05
    2-ethoxyethyl acetate 801.44
    2-ethylhexyl acetate 546.44
    1,2,4-trichlorobenzene 1308.46
    4-methylpyridine 2585.08
    dibutyl ether 359.63
    2,6-dimethyl-4-heptanol 120.81
    DEF 1867.79
    dimethyl isosorbide 841.71
    tetrachloroethylene 2418.78
    eugenol 350.9
    triacetin 574.2
    span 80 281.88
    1,4-butanediol 177.95
    1,1-dichloroethane 3531.55
    2-methyl-1-pentanol 267.28
    methyl formate 1721.25
    2-methyl-1-butanol 349.76
    n-decane 19.55
    butyronitrile 947.04
    3,7-dimethyl-1-octanol 170.73
    1-chlorooctane 153.35
    1-chlorotetradecane 46.37
    n-nonane 20.5
    undecane 13.61
    tert-butylcyclohexane 52.88
    cyclooctane 40.87
    cyclopentanol 792.05
    tetrahydropyran 2790.66
    tert-amyl methyl ether 525.76
    2,5,8-trioxanonane 768.26
    1-hexene 333.32
    2-isopropoxyethanol 483.15
    2,2,2-trifluoroethanol 405.67
    methyl butyrate 1342.83

    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