2-Phenylpent-2-enal

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  • Identifiers

    CAS number
    3491-63-2

    Molecular formula
    C11H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 75.8%
    Floral 74.78%
    Sweet 53.51%
    Honey 42.95%
    Herbal 42.87%
    Balsamic 42.53%
    Cocoa 42.53%
    Hyacinth 41.95%
    Spicy 38.98%
    Powdery 38.53%

     

    Flavor
    Sweet 55.03%
    Cinnamon 40.78%
    Cocoa 38.65%
    Balsam 35.78%
    Honey 34.79%
    Nutty 34.13%
    Chocolate 32.28%
    Green 32.03%
    Spicy 31.28%
    Floral 30.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.02 (neutral)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    265°C

    Flash point

    • 116.35 ˚C est.

  • Synonyms

    • 2-Phenyl-2-pentenal
    • 2-Phenylpent-2-enal
    • 3491-63-2
    • DTXSID90863181
    • DTXCID10811841
    • CHEBI:188775
    • YPAJRUMMODCONM-UHFFFAOYSA-N
    • 42762-46-9

  • Applications

    2-Phenylpent-2-enal (CAS 3491-63-2) is a conjugated alpha,beta-unsaturated aldehyde frequently used as a fragrance ingredient and a building block in aroma chemical synthesis for perfumery and cosmetics; it also serves as an intermediate in the preparation of related aroma compounds. In addition, it may be used as a fragrance note in household products such as cleaners and air fresheners, and can act as a reactive precursor for further modification in industrial manufacturing. Some formulations explore its use in coatings and inks to impart a specific odor profile, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 786.27
    methanol 790.77
    isopropanol 519.99
    water 1.06
    ethyl acetate 835.34
    n-propanol 664.61
    acetone 1455.76
    n-butanol 615.88
    acetonitrile 1293.97
    DMF 3190.57
    toluene 547.2
    isobutanol 467.86
    1,4-dioxane 1242.22
    methyl acetate 933.69
    THF 1156.92
    2-butanone 1103.04
    n-pentanol 340.64
    sec-butanol 393.39
    n-hexane 75.61
    ethylene glycol 200.85
    NMP 1590.66
    cyclohexane 180.21
    DMSO 1578.55
    n-butyl acetate 621.05
    n-octanol 221.25
    chloroform 3341.52
    n-propyl acetate 492.01
    acetic acid 608.2
    dichloromethane 3690.14
    cyclohexanone 1753.87
    propylene glycol 197.13
    isopropyl acetate 369.88
    DMAc 1278.63
    2-ethoxyethanol 391.17
    isopentanol 406.45
    n-heptane 69.16
    ethyl formate 736.08
    1,2-dichloroethane 2514.95
    n-hexanol 490.04
    2-methoxyethanol 840.6
    isobutyl acetate 264.83
    tetrachloromethane 380.83
    n-pentyl acetate 290.13
    transcutol 1209.18
    n-heptanol 203.46
    ethylbenzene 277.3
    MIBK 389.38
    2-propoxyethanol 608.68
    tert-butanol 459.79
    MTBE 404.57
    2-butoxyethanol 325.03
    propionic acid 639.74
    o-xylene 264.9
    formic acid 165.43
    diethyl ether 646.81
    m-xylene 296.28
    p-xylene 290.06
    chlorobenzene 1006.32
    dimethyl carbonate 402.75
    n-octane 39.56
    formamide 454.08
    cyclopentanone 1628.74
    2-pentanone 843.51
    anisole 502.08
    cyclopentyl methyl ether 610.23
    gamma-butyrolactone 1600.28
    1-methoxy-2-propanol 563.58
    pyridine 1735.41
    3-pentanone 627.67
    furfural 1310.77
    n-dodecane 31.5
    diethylene glycol 429.61
    diisopropyl ether 145.36
    tert-amyl alcohol 329.43
    acetylacetone 699.23
    n-hexadecane 36.9
    acetophenone 480.96
    methyl propionate 769.46
    isopentyl acetate 448.94
    trichloroethylene 4034.07
    n-nonanol 184.69
    cyclohexanol 526.14
    benzyl alcohol 379.52
    2-ethylhexanol 250.91
    isooctanol 159.57
    dipropyl ether 337.59
    1,2-dichlorobenzene 771.82
    ethyl lactate 218.61
    propylene carbonate 937.2
    n-methylformamide 1301.82
    2-pentanol 321.47
    n-pentane 78.89
    1-propoxy-2-propanol 421.27
    1-methoxy-2-propyl acetate 414.03
    2-(2-methoxypropoxy) propanol 257.18
    mesitylene 180.94
    ε-caprolactone 1089.79
    p-cymene 138.83
    epichlorohydrin 1893.01
    1,1,1-trichloroethane 1591.53
    2-aminoethanol 362.66
    morpholine-4-carbaldehyde 1150.08
    sulfolane 1605.03
    2,2,4-trimethylpentane 31.32
    2-methyltetrahydrofuran 812.21
    n-hexyl acetate 432.87
    isooctane 32.89
    2-(2-butoxyethoxy)ethanol 376.43
    sec-butyl acetate 261.04
    tert-butyl acetate 343.89
    decalin 76.16
    glycerin 251.23
    diglyme 814.83
    acrylic acid 579.09
    isopropyl myristate 173.75
    n-butyric acid 812.46
    acetyl acetate 416.54
    di(2-ethylhexyl) phthalate 131.78
    ethyl propionate 410.89
    nitromethane 1484.12
    1,2-diethoxyethane 482.01
    benzonitrile 716.6
    trioctyl phosphate 112.68
    1-bromopropane 1159.15
    gamma-valerolactone 1550.45
    n-decanol 141.83
    triethyl phosphate 164.56
    4-methyl-2-pentanol 161.98
    propionitrile 1038.12
    vinylene carbonate 925.46
    1,1,2-trichlorotrifluoroethane 933.58
    DMS 372.87
    cumene 159.51
    2-octanol 146.09
    2-hexanone 511.14
    octyl acetate 218.99
    limonene 209.11
    1,2-dimethoxyethane 873.09
    ethyl orthosilicate 148.92
    tributyl phosphate 133.66
    diacetone alcohol 385.04
    N,N-dimethylaniline 288.36
    acrylonitrile 1429.25
    aniline 631.48
    1,3-propanediol 459.53
    bromobenzene 1137.26
    dibromomethane 2302.05
    1,1,2,2-tetrachloroethane 2637.66
    2-methyl-cyclohexyl acetate 232.43
    tetrabutyl urea 203.17
    diisobutyl methanol 144.47
    2-phenylethanol 359.28
    styrene 414.77
    dioctyl adipate 224.75
    dimethyl sulfate 542.9
    ethyl butyrate 400.02
    methyl lactate 322.51
    butyl lactate 221.93
    diethyl carbonate 294.63
    propanediol butyl ether 273.8
    triethyl orthoformate 232.61
    p-tert-butyltoluene 125.86
    methyl 4-tert-butylbenzoate 291.58
    morpholine 1344.94
    tert-butylamine 296.14
    n-dodecanol 114.24
    dimethoxymethane 989.38
    ethylene carbonate 770.35
    cyrene 251.72
    2-ethoxyethyl acetate 350.86
    2-ethylhexyl acetate 340.97
    1,2,4-trichlorobenzene 786.55
    4-methylpyridine 1340.9
    dibutyl ether 289.64
    2,6-dimethyl-4-heptanol 144.47
    DEF 1071.55
    dimethyl isosorbide 439.1
    tetrachloroethylene 1608.29
    eugenol 288.71
    triacetin 318.02
    span 80 241.33
    1,4-butanediol 180.94
    1,1-dichloroethane 2175.86
    2-methyl-1-pentanol 260.01
    methyl formate 944.09
    2-methyl-1-butanol 387.39
    n-decane 49.98
    butyronitrile 925.95
    3,7-dimethyl-1-octanol 184.52
    1-chlorooctane 219.19
    1-chlorotetradecane 88.19
    n-nonane 52.54
    undecane 38.98
    tert-butylcyclohexane 60.87
    cyclooctane 55.96
    cyclopentanol 538.38
    tetrahydropyran 1242.33
    tert-amyl methyl ether 262.89
    2,5,8-trioxanonane 480.87
    1-hexene 295.21
    2-isopropoxyethanol 257.02
    2,2,2-trifluoroethanol 240.04
    methyl butyrate 670.94

    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