1-(4-Methoxyphenyl)-1-buten-3-one

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  • Identifiers

    CAS number
    943-87-3

    Molecular formula
    C11H12O2

    SMILES
    CC(=O)C=CC1=CC=C(C=C1)OC

  • Odor profile

    Sweet 91.82%
    Floral 78.81%
    Vanilla 68.64%
    Powdery 63.7%
    Balsamic 63.15%
    Spicy 61.57%
    Cherry 55.45%
    Anisic 54.4%
    Fruity 52.46%
    Cinnamon 50.09%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point est.
    117.3 ˚C

  • Synonyms

    • Anisylidene acetone
    • DTXSID9061338
    • Anisalaceton
    • WRRZKDVBPZBNJN-UHFFFAOYSA-N
    • 4-p-methoxyphenylbut-3-ene-2-one
    • 1-(4-Methoxyphenyl)-1-buten-3-one
    • AKOS017269271
    • (E)-4-(4-Methoxyphenyl)-3-buten-2-one
    • NS00040399
    • 943-87-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 505.92
    methanol 462.78
    isopropanol 358.36
    water 2.1
    ethyl acetate 474.89
    n-propanol 311.03
    acetone 270.79
    n-butanol 224.04
    acetonitrile 400.86
    DMF 241.45
    toluene 122.78
    isobutanol 179.24
    1,4-dioxane 1045.47
    methyl acetate 451.42
    THF 487.75
    2-butanone 269.48
    n-pentanol 157.43
    sec-butanol 245.51
    n-hexane 7.04
    ethylene glycol 215.46
    NMP 120.55
    cyclohexane 14.75
    DMSO 428.15
    n-butyl acetate 117.94
    n-octanol 58.19
    chloroform 678.53
    n-propyl acetate 146.57
    acetic acid 300.33
    dichloromethane 634.94
    cyclohexanone 199.95
    propylene glycol 377.71
    isopropyl acetate 166.21
    DMAc 388.25
    2-ethoxyethanol 453.17
    isopentanol 143.94
    n-heptane 10.44
    ethyl formate 166.66
    1,2-dichloroethane 316.5
    n-hexanol 124.2
    2-methoxyethanol 675.5
    isobutyl acetate 82.36
    tetrachloromethane 49.77
    n-pentyl acetate 57.52
    transcutol 922.46
    n-heptanol 50.37
    ethylbenzene 62.28
    MIBK 91.32
    2-propoxyethanol 311.83
    tert-butanol 440.05
    MTBE 227.91
    2-butoxyethanol 128.43
    propionic acid 257.63
    o-xylene 73.55
    formic acid 144.36
    diethyl ether 277.82
    m-xylene 68.59
    p-xylene 74.61
    chlorobenzene 124.75
    dimethyl carbonate 125.24
    n-octane 6.4
    formamide 253.23
    cyclopentanone 181.34
    2-pentanone 163.35
    anisole 223.35
    cyclopentyl methyl ether 159.42
    gamma-butyrolactone 260.55
    1-methoxy-2-propanol 441.51
    pyridine 355.58
    3-pentanone 141.16
    furfural 285.08
    n-dodecane 7.65
    diethylene glycol 341.3
    diisopropyl ether 53.65
    tert-amyl alcohol 250.55
    acetylacetone 217.47
    n-hexadecane 8.43
    acetophenone 146.48
    methyl propionate 282.63
    isopentyl acetate 101.58
    trichloroethylene 557.37
    n-nonanol 56.58
    cyclohexanol 163.34
    benzyl alcohol 175.73
    2-ethylhexanol 65.92
    isooctanol 40.61
    dipropyl ether 93.34
    1,2-dichlorobenzene 102.12
    ethyl lactate 93.1
    propylene carbonate 144.55
    n-methylformamide 187.3
    2-pentanol 141.82
    n-pentane 6.85
    1-propoxy-2-propanol 191.68
    1-methoxy-2-propyl acetate 194.44
    2-(2-methoxypropoxy) propanol 167.96
    mesitylene 39.26
    ε-caprolactone 199.03
    p-cymene 33.28
    epichlorohydrin 474.22
    1,1,1-trichloroethane 277.09
    2-aminoethanol 327.06
    morpholine-4-carbaldehyde 384.11
    sulfolane 217.41
    2,2,4-trimethylpentane 8.15
    2-methyltetrahydrofuran 314.58
    n-hexyl acetate 98.52
    isooctane 5.97
    2-(2-butoxyethoxy)ethanol 232.26
    sec-butyl acetate 102.36
    tert-butyl acetate 151.03
    decalin 13.87
    glycerin 380.24
    diglyme 419.27
    acrylic acid 191.55
    isopropyl myristate 48.91
    n-butyric acid 242.26
    acetyl acetate 220.22
    di(2-ethylhexyl) phthalate 47.25
    ethyl propionate 150.31
    nitromethane 449.9
    1,2-diethoxyethane 274.3
    benzonitrile 139.08
    trioctyl phosphate 29.55
    1-bromopropane 148.44
    gamma-valerolactone 352.51
    n-decanol 46.6
    triethyl phosphate 64.3
    4-methyl-2-pentanol 64.46
    propionitrile 236.38
    vinylene carbonate 159.29
    1,1,2-trichlorotrifluoroethane 333.43
    DMS 146.3
    cumene 40.97
    2-octanol 34.97
    2-hexanone 112.17
    octyl acetate 58.81
    limonene 45.47
    1,2-dimethoxyethane 517.53
    ethyl orthosilicate 64.71
    tributyl phosphate 41.88
    diacetone alcohol 184.27
    N,N-dimethylaniline 115.64
    acrylonitrile 257.1
    aniline 214.89
    1,3-propanediol 383.3
    bromobenzene 123.19
    dibromomethane 342.1
    1,1,2,2-tetrachloroethane 450.27
    2-methyl-cyclohexyl acetate 84.0
    tetrabutyl urea 54.62
    diisobutyl methanol 43.86
    2-phenylethanol 130.44
    styrene 87.09
    dioctyl adipate 75.44
    dimethyl sulfate 159.99
    ethyl butyrate 108.37
    methyl lactate 152.93
    butyl lactate 61.16
    diethyl carbonate 93.6
    propanediol butyl ether 131.83
    triethyl orthoformate 86.12
    p-tert-butyltoluene 33.77
    methyl 4-tert-butylbenzoate 103.0
    morpholine 877.86
    tert-butylamine 180.29
    n-dodecanol 39.78
    dimethoxymethane 325.68
    ethylene carbonate 139.58
    cyrene 131.81
    2-ethoxyethyl acetate 138.46
    2-ethylhexyl acetate 77.67
    1,2,4-trichlorobenzene 140.55
    4-methylpyridine 261.53
    dibutyl ether 86.66
    2,6-dimethyl-4-heptanol 43.86
    DEF 197.12
    dimethyl isosorbide 225.81
    tetrachloroethylene 232.66
    eugenol 113.26
    triacetin 151.47
    span 80 109.89
    1,4-butanediol 155.02
    1,1-dichloroethane 341.51
    2-methyl-1-pentanol 112.86
    methyl formate 156.93
    2-methyl-1-butanol 141.39
    n-decane 10.87
    butyronitrile 179.77
    3,7-dimethyl-1-octanol 62.73
    1-chlorooctane 39.38
    1-chlorotetradecane 20.71
    n-nonane 9.84
    undecane 8.87
    tert-butylcyclohexane 14.64
    cyclooctane 5.87
    cyclopentanol 148.27
    tetrahydropyran 433.47
    tert-amyl methyl ether 144.72
    2,5,8-trioxanonane 326.02
    1-hexene 42.32
    2-isopropoxyethanol 250.73
    2,2,2-trifluoroethanol 111.08
    methyl butyrate 160.78

    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