4-Penten-1-one, 1-phenyl-

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  • Identifiers

    CAS number
    3240-29-7

    Molecular formula
    C11H12O

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

  • Odor profile

    Herbal 57.04%
    Balsamic 50.99%
    Fruity 43.84%
    Spicy 39.96%
    Green 38.72%
    Floral 33.84%
    Sweet 32.62%
    Metallic 31.03%
    Musty 28.2%
    Cherry 25.8%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.87 (neutral)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point est.
    103.94 ˚C

  • Synonyms

    • 4-Pentenophenone
    • 1-phenylpent-4-en-1-one
    • 3240-29-7
    • 1-phenyl-4-penten-1-one
    • 4-Penten-1-one, 1-phenyl-
    • AI3-04992
    • DTXSID2075396
    • NSC 408289
    • NSC-408289
    • Lavonax
    • balsam ketone
    • 3-Butenoylbenzene
    • NSC408289
    • 3-Butenyl phenyl ketone
    • WNP6B85WWU
    • phenyl-(but-3-enyl)ketone
    • 1-phenyl-4-pentene-1-one
    • 5-Oxo-5-phenyl-1-pentene
    • phenyl-(but-3-enyl) ketone
    • 1-phenyl-pent-4-en-1-one
    • SCHEMBL317112
    • DTXCID4038504
    • DAA24029
    • AKOS009391726
    • alpha-3-Buten-1-ylidenebenzenemethanol
    • HS-4097
    • Benzenemethanol, alpha-3-buten-1-ylidene-
    • DB-111368
    • NS00012023
    • EN300-114302
    • Z406376458
    • 608-738-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 323.83
    methanol 341.1
    isopropanol 238.74
    water 0.58
    ethyl acetate 481.32
    n-propanol 290.66
    acetone 548.14
    n-butanol 304.84
    acetonitrile 502.27
    DMF 1129.86
    toluene 229.73
    isobutanol 252.14
    1,4-dioxane 685.56
    methyl acetate 514.54
    THF 537.77
    2-butanone 553.69
    n-pentanol 249.59
    sec-butanol 250.61
    n-hexane 72.95
    ethylene glycol 67.85
    NMP 605.1
    cyclohexane 89.27
    DMSO 671.09
    n-butyl acetate 530.82
    n-octanol 187.47
    chloroform 1395.01
    n-propyl acetate 385.45
    acetic acid 338.75
    dichloromethane 1281.27
    cyclohexanone 772.17
    propylene glycol 91.29
    isopropyl acetate 263.67
    DMAc 887.99
    2-ethoxyethanol 277.34
    isopentanol 277.95
    n-heptane 45.33
    ethyl formate 334.86
    1,2-dichloroethane 905.4
    n-hexanol 318.13
    2-methoxyethanol 398.25
    isobutyl acetate 253.41
    tetrachloromethane 127.51
    n-pentyl acetate 229.44
    transcutol 1639.04
    n-heptanol 144.95
    ethylbenzene 220.32
    MIBK 254.85
    2-propoxyethanol 393.75
    tert-butanol 316.45
    MTBE 308.97
    2-butoxyethanol 241.9
    propionic acid 320.91
    o-xylene 169.51
    formic acid 73.97
    diethyl ether 408.05
    m-xylene 161.75
    p-xylene 236.02
    chlorobenzene 472.79
    dimethyl carbonate 200.33
    n-octane 25.06
    formamide 172.88
    cyclopentanone 659.99
    2-pentanone 407.39
    anisole 419.55
    cyclopentyl methyl ether 278.37
    gamma-butyrolactone 667.25
    1-methoxy-2-propanol 300.23
    pyridine 763.24
    3-pentanone 344.06
    furfural 673.06
    n-dodecane 23.41
    diethylene glycol 246.22
    diisopropyl ether 120.07
    tert-amyl alcohol 298.17
    acetylacetone 409.07
    n-hexadecane 26.7
    acetophenone 383.79
    methyl propionate 361.8
    isopentyl acetate 418.05
    trichloroethylene 1565.04
    n-nonanol 164.32
    cyclohexanol 266.88
    benzyl alcohol 272.38
    2-ethylhexanol 218.87
    isooctanol 129.09
    dipropyl ether 250.1
    1,2-dichlorobenzene 446.46
    ethyl lactate 164.15
    propylene carbonate 474.06
    n-methylformamide 379.78
    2-pentanol 213.69
    n-pentane 43.07
    1-propoxy-2-propanol 311.04
    1-methoxy-2-propyl acetate 348.52
    2-(2-methoxypropoxy) propanol 298.84
    mesitylene 116.6
    ε-caprolactone 560.0
    p-cymene 111.42
    epichlorohydrin 783.54
    1,1,1-trichloroethane 689.62
    2-aminoethanol 144.43
    morpholine-4-carbaldehyde 601.41
    sulfolane 651.98
    2,2,4-trimethylpentane 29.0
    2-methyltetrahydrofuran 413.71
    n-hexyl acetate 360.21
    isooctane 25.9
    2-(2-butoxyethoxy)ethanol 400.12
    sec-butyl acetate 254.91
    tert-butyl acetate 267.33
    decalin 64.71
    glycerin 126.01
    diglyme 744.32
    acrylic acid 271.28
    isopropyl myristate 148.94
    n-butyric acid 461.48
    acetyl acetate 295.3
    di(2-ethylhexyl) phthalate 122.9
    ethyl propionate 317.93
    nitromethane 667.56
    1,2-diethoxyethane 498.68
    benzonitrile 447.62
    trioctyl phosphate 91.05
    1-bromopropane 466.0
    gamma-valerolactone 716.94
    n-decanol 122.65
    triethyl phosphate 145.07
    4-methyl-2-pentanol 145.96
    propionitrile 455.87
    vinylene carbonate 484.66
    1,1,2-trichlorotrifluoroethane 464.38
    DMS 302.28
    cumene 145.29
    2-octanol 117.02
    2-hexanone 400.28
    octyl acetate 181.01
    limonene 159.92
    1,2-dimethoxyethane 613.56
    ethyl orthosilicate 136.49
    tributyl phosphate 124.76
    diacetone alcohol 288.74
    N,N-dimethylaniline 252.82
    acrylonitrile 589.62
    aniline 284.95
    1,3-propanediol 210.1
    bromobenzene 517.93
    dibromomethane 851.11
    1,1,2,2-tetrachloroethane 1233.13
    2-methyl-cyclohexyl acetate 224.7
    tetrabutyl urea 168.15
    diisobutyl methanol 128.93
    2-phenylethanol 257.38
    styrene 313.98
    dioctyl adipate 199.9
    dimethyl sulfate 283.82
    ethyl butyrate 351.66
    methyl lactate 166.08
    butyl lactate 192.69
    diethyl carbonate 262.47
    propanediol butyl ether 244.0
    triethyl orthoformate 216.6
    p-tert-butyltoluene 100.44
    methyl 4-tert-butylbenzoate 242.42
    morpholine 645.33
    tert-butylamine 224.85
    n-dodecanol 94.16
    dimethoxymethane 442.23
    ethylene carbonate 381.15
    cyrene 207.65
    2-ethoxyethyl acetate 309.03
    2-ethylhexyl acetate 320.44
    1,2,4-trichlorobenzene 470.69
    4-methylpyridine 684.57
    dibutyl ether 289.39
    2,6-dimethyl-4-heptanol 128.93
    DEF 567.79
    dimethyl isosorbide 400.1
    tetrachloroethylene 692.55
    eugenol 260.91
    triacetin 303.25
    span 80 225.12
    1,4-butanediol 101.3
    1,1-dichloroethane 800.96
    2-methyl-1-pentanol 257.55
    methyl formate 298.31
    2-methyl-1-butanol 275.15
    n-decane 37.57
    butyronitrile 444.65
    3,7-dimethyl-1-octanol 187.48
    1-chlorooctane 164.34
    1-chlorotetradecane 63.78
    n-nonane 37.34
    undecane 28.77
    tert-butylcyclohexane 59.29
    cyclooctane 29.77
    cyclopentanol 217.52
    tetrahydropyran 577.72
    tert-amyl methyl ether 234.32
    2,5,8-trioxanonane 482.6
    1-hexene 269.56
    2-isopropoxyethanol 218.33
    2,2,2-trifluoroethanol 113.14
    methyl butyrate 470.8

    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