(Z)-3-methyl-4-phenylbut-3-en-2-one

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  • Identifiers

    CAS number
    1901-26-4

    Molecular formula
    C11H12O

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

  • Odor profile

    Fruity 73.91%
    Sweet 72.99%
    Floral 55.69%
    Caramellic 45.09%
    Berry 44.23%
    Balsamic 43.16%
    Spicy 41.91%
    Cherry 40.16%
    Powdery 39.96%
    Honey 38.51%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point est.
    101.86 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • very soluble (in ethanol)

  • Synonyms

    • 1901-26-4
    • 3-benzylidene-2-butanone
    • (Z)-3-methyl-4-phenylbut-3-en-2-one
    • (3Z)-3-METHYL-4-PHENYLBUT-3-EN-2-ONE
    • SCHEMBL2532810
    • FEMA 2734
    • NSC46888

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 644.36
    methanol 565.42
    isopropanol 554.31
    water 2.81
    ethyl acetate 942.21
    n-propanol 532.67
    acetone 865.34
    n-butanol 466.03
    acetonitrile 1269.95
    DMF 1082.31
    toluene 398.74
    isobutanol 412.04
    1,4-dioxane 1312.15
    methyl acetate 1059.37
    THF 760.58
    2-butanone 949.85
    n-pentanol 353.7
    sec-butanol 543.9
    n-hexane 92.59
    ethylene glycol 144.83
    NMP 589.38
    cyclohexane 73.67
    DMSO 666.62
    n-butyl acetate 468.05
    n-octanol 213.16
    chloroform 2299.42
    n-propyl acetate 451.36
    acetic acid 409.63
    dichloromethane 1995.53
    cyclohexanone 798.25
    propylene glycol 240.43
    isopropyl acetate 383.55
    DMAc 940.23
    2-ethoxyethanol 469.66
    isopentanol 411.82
    n-heptane 48.8
    ethyl formate 498.63
    1,2-dichloroethane 1035.38
    n-hexanol 348.46
    2-methoxyethanol 662.47
    isobutyl acetate 258.44
    tetrachloromethane 265.73
    n-pentyl acetate 229.76
    transcutol 1526.13
    n-heptanol 182.0
    ethylbenzene 306.27
    MIBK 319.64
    2-propoxyethanol 481.63
    tert-butanol 641.08
    MTBE 588.41
    2-butoxyethanol 305.61
    propionic acid 519.57
    o-xylene 266.06
    formic acid 141.08
    diethyl ether 722.41
    m-xylene 241.83
    p-xylene 352.99
    chlorobenzene 454.42
    dimethyl carbonate 280.28
    n-octane 26.62
    formamide 362.9
    cyclopentanone 734.24
    2-pentanone 584.4
    anisole 591.1
    cyclopentyl methyl ether 369.96
    gamma-butyrolactone 822.81
    1-methoxy-2-propanol 489.23
    pyridine 966.1
    3-pentanone 545.14
    furfural 759.87
    n-dodecane 21.48
    diethylene glycol 335.6
    diisopropyl ether 152.44
    tert-amyl alcohol 542.51
    acetylacetone 534.42
    n-hexadecane 24.25
    acetophenone 450.16
    methyl propionate 641.44
    isopentyl acetate 365.58
    trichloroethylene 1994.64
    n-nonanol 183.63
    cyclohexanol 332.41
    benzyl alcohol 395.11
    2-ethylhexanol 229.51
    isooctanol 155.45
    dipropyl ether 285.12
    1,2-dichlorobenzene 408.69
    ethyl lactate 188.49
    propylene carbonate 516.05
    n-methylformamide 534.33
    2-pentanol 344.99
    n-pentane 53.98
    1-propoxy-2-propanol 360.25
    1-methoxy-2-propyl acetate 371.89
    2-(2-methoxypropoxy) propanol 326.39
    mesitylene 139.78
    ε-caprolactone 660.7
    p-cymene 126.63
    epichlorohydrin 1146.44
    1,1,1-trichloroethane 999.06
    2-aminoethanol 306.7
    morpholine-4-carbaldehyde 796.8
    sulfolane 651.82
    2,2,4-trimethylpentane 36.61
    2-methyltetrahydrofuran 683.28
    n-hexyl acetate 380.99
    isooctane 26.42
    2-(2-butoxyethoxy)ethanol 439.41
    sec-butyl acetate 304.2
    tert-butyl acetate 339.81
    decalin 64.52
    glycerin 254.97
    diglyme 770.85
    acrylic acid 394.65
    isopropyl myristate 147.89
    n-butyric acid 547.92
    acetyl acetate 407.61
    di(2-ethylhexyl) phthalate 126.69
    ethyl propionate 411.64
    nitromethane 895.36
    1,2-diethoxyethane 555.82
    benzonitrile 471.41
    trioctyl phosphate 92.08
    1-bromopropane 658.41
    gamma-valerolactone 944.07
    n-decanol 136.27
    triethyl phosphate 155.86
    4-methyl-2-pentanol 185.88
    propionitrile 792.68
    vinylene carbonate 530.85
    1,1,2-trichlorotrifluoroethane 599.68
    DMS 358.32
    cumene 185.33
    2-octanol 133.31
    2-hexanone 473.77
    octyl acetate 187.46
    limonene 166.29
    1,2-dimethoxyethane 830.94
    ethyl orthosilicate 150.83
    tributyl phosphate 120.44
    diacetone alcohol 383.14
    N,N-dimethylaniline 349.72
    acrylonitrile 891.47
    aniline 442.71
    1,3-propanediol 368.14
    bromobenzene 505.94
    dibromomethane 1333.62
    1,1,2,2-tetrachloroethane 1420.96
    2-methyl-cyclohexyl acetate 236.1
    tetrabutyl urea 152.22
    diisobutyl methanol 130.23
    2-phenylethanol 297.57
    styrene 386.91
    dioctyl adipate 196.16
    dimethyl sulfate 362.25
    ethyl butyrate 352.66
    methyl lactate 233.3
    butyl lactate 184.41
    diethyl carbonate 257.23
    propanediol butyl ether 292.66
    triethyl orthoformate 209.87
    p-tert-butyltoluene 119.59
    methyl 4-tert-butylbenzoate 284.17
    morpholine 1139.28
    tert-butylamine 406.64
    n-dodecanol 102.94
    dimethoxymethane 540.19
    ethylene carbonate 428.72
    cyrene 269.44
    2-ethoxyethyl acetate 367.47
    2-ethylhexyl acetate 289.56
    1,2,4-trichlorobenzene 485.74
    4-methylpyridine 902.58
    dibutyl ether 292.86
    2,6-dimethyl-4-heptanol 130.23
    DEF 646.99
    dimethyl isosorbide 447.78
    tetrachloroethylene 858.7
    eugenol 298.95
    triacetin 361.01
    span 80 252.94
    1,4-butanediol 170.44
    1,1-dichloroethane 1237.88
    2-methyl-1-pentanol 335.02
    methyl formate 418.56
    2-methyl-1-butanol 413.31
    n-decane 35.99
    butyronitrile 678.62
    3,7-dimethyl-1-octanol 199.71
    1-chlorooctane 164.14
    1-chlorotetradecane 62.36
    n-nonane 36.11
    undecane 26.92
    tert-butylcyclohexane 68.82
    cyclooctane 27.15
    cyclopentanol 302.79
    tetrahydropyran 827.1
    tert-amyl methyl ether 401.33
    2,5,8-trioxanonane 521.94
    1-hexene 342.95
    2-isopropoxyethanol 355.48
    2,2,2-trifluoroethanol 194.18
    methyl butyrate 550.18

    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