1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one

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  • Identifiers

    CAS number
    103-13-9

    Molecular formula
    C13H16O2

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

  • Odor profile

    Fruity 90.08%
    Sweet 57.2%
    Berry 49.95%
    Caramellic 49.53%
    Floral 38.76%
    Spicy 34.99%
    Cherry 32.36%
    Tropical 30.44%
    Dry 30.32%
    Balsamic 29.84%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    204.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point est.
    123.84 ˚C

  • Synonyms

    • 103-13-9
    • 1-PENTEN-3-ONE, 1-(4-METHOXYPHENYL)-4-METHYL-
    • 1-(4-Methoxyphenyl)-4-methylpent-1-en-3-one
    • DTXSID3059268
    • ZIXVMEYRFPMOAV-UHFFFAOYSA-N
    • alpha,alpha-dimethyl anisyl acetone
    • NCI60_018084
    • DB-268376

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 473.55
    methanol 520.52
    isopropanol 308.69
    water 0.73
    ethyl acetate 1189.5
    n-propanol 317.01
    acetone 187.33
    n-butanol 292.56
    acetonitrile 592.48
    DMF 141.25
    toluene 298.94
    isobutanol 180.36
    1,4-dioxane 1346.6
    methyl acetate 640.47
    THF 565.01
    2-butanone 354.11
    n-pentanol 221.86
    sec-butanol 264.73
    n-hexane 14.76
    ethylene glycol 67.97
    NMP 87.33
    cyclohexane 34.42
    DMSO 194.14
    n-butyl acetate 318.59
    n-octanol 54.22
    chloroform 1497.37
    n-propyl acetate 327.74
    acetic acid 366.21
    dichloromethane 1353.84
    cyclohexanone 302.6
    propylene glycol 132.73
    isopropyl acetate 367.52
    DMAc 302.16
    2-ethoxyethanol 512.62
    isopentanol 234.13
    n-heptane 11.27
    ethyl formate 294.8
    1,2-dichloroethane 707.09
    n-hexanol 169.85
    2-methoxyethanol 615.38
    isobutyl acetate 183.21
    tetrachloromethane 127.05
    n-pentyl acetate 112.7
    transcutol 1310.24
    n-heptanol 65.78
    ethylbenzene 145.18
    MIBK 159.34
    2-propoxyethanol 345.83
    tert-butanol 424.02
    MTBE 388.69
    2-butoxyethanol 164.71
    propionic acid 249.19
    o-xylene 139.97
    formic acid 127.3
    diethyl ether 635.17
    m-xylene 134.84
    p-xylene 163.93
    chlorobenzene 283.28
    dimethyl carbonate 139.75
    n-octane 6.16
    formamide 289.32
    cyclopentanone 203.63
    2-pentanone 258.47
    anisole 344.36
    cyclopentyl methyl ether 206.17
    gamma-butyrolactone 317.72
    1-methoxy-2-propanol 358.12
    pyridine 702.07
    3-pentanone 218.05
    furfural 405.53
    n-dodecane 5.85
    diethylene glycol 261.0
    diisopropyl ether 100.99
    tert-amyl alcohol 308.65
    acetylacetone 336.8
    n-hexadecane 6.71
    acetophenone 243.4
    methyl propionate 407.32
    isopentyl acetate 265.79
    trichloroethylene 1284.99
    n-nonanol 56.85
    cyclohexanol 190.45
    benzyl alcohol 244.01
    2-ethylhexanol 100.71
    isooctanol 55.05
    dipropyl ether 146.16
    1,2-dichlorobenzene 243.26
    ethyl lactate 108.07
    propylene carbonate 241.12
    n-methylformamide 154.53
    2-pentanol 193.61
    n-pentane 11.55
    1-propoxy-2-propanol 217.43
    1-methoxy-2-propyl acetate 325.21
    2-(2-methoxypropoxy) propanol 205.55
    mesitylene 74.19
    ε-caprolactone 332.97
    p-cymene 60.59
    epichlorohydrin 619.6
    1,1,1-trichloroethane 574.58
    2-aminoethanol 177.54
    morpholine-4-carbaldehyde 374.61
    sulfolane 208.75
    2,2,4-trimethylpentane 14.3
    2-methyltetrahydrofuran 388.51
    n-hexyl acetate 147.11
    isooctane 10.02
    2-(2-butoxyethoxy)ethanol 281.23
    sec-butyl acetate 241.64
    tert-butyl acetate 296.14
    decalin 24.48
    glycerin 157.68
    diglyme 589.99
    acrylic acid 185.79
    isopropyl myristate 64.69
    n-butyric acid 395.82
    acetyl acetate 461.59
    di(2-ethylhexyl) phthalate 68.51
    ethyl propionate 303.16
    nitromethane 558.31
    1,2-diethoxyethane 492.38
    benzonitrile 257.79
    trioctyl phosphate 37.83
    1-bromopropane 342.9
    gamma-valerolactone 431.27
    n-decanol 43.28
    triethyl phosphate 105.86
    4-methyl-2-pentanol 96.41
    propionitrile 348.86
    vinylene carbonate 268.86
    1,1,2-trichlorotrifluoroethane 379.65
    DMS 203.61
    cumene 79.34
    2-octanol 41.19
    2-hexanone 208.24
    octyl acetate 73.63
    limonene 74.88
    1,2-dimethoxyethane 709.9
    ethyl orthosilicate 112.25
    tributyl phosphate 58.88
    diacetone alcohol 251.72
    N,N-dimethylaniline 169.79
    acrylonitrile 389.96
    aniline 298.97
    1,3-propanediol 294.12
    bromobenzene 310.0
    dibromomethane 796.97
    1,1,2,2-tetrachloroethane 948.47
    2-methyl-cyclohexyl acetate 154.35
    tetrabutyl urea 64.99
    diisobutyl methanol 63.39
    2-phenylethanol 205.48
    styrene 212.15
    dioctyl adipate 109.23
    dimethyl sulfate 129.58
    ethyl butyrate 256.8
    methyl lactate 124.25
    butyl lactate 85.25
    diethyl carbonate 197.98
    propanediol butyl ether 126.84
    triethyl orthoformate 169.33
    p-tert-butyltoluene 59.14
    methyl 4-tert-butylbenzoate 145.31
    morpholine 1086.62
    tert-butylamine 224.95
    n-dodecanol 34.8
    dimethoxymethane 315.13
    ethylene carbonate 234.83
    cyrene 154.32
    2-ethoxyethyl acetate 255.4
    2-ethylhexyl acetate 201.44
    1,2,4-trichlorobenzene 280.4
    4-methylpyridine 480.24
    dibutyl ether 114.84
    2,6-dimethyl-4-heptanol 63.39
    DEF 268.79
    dimethyl isosorbide 308.35
    tetrachloroethylene 557.0
    eugenol 156.2
    triacetin 195.7
    span 80 130.93
    1,4-butanediol 112.13
    1,1-dichloroethane 638.88
    2-methyl-1-pentanol 197.13
    methyl formate 125.84
    2-methyl-1-butanol 212.77
    n-decane 9.62
    butyronitrile 319.97
    3,7-dimethyl-1-octanol 74.76
    1-chlorooctane 45.56
    1-chlorotetradecane 20.23
    n-nonane 8.3
    undecane 7.16
    tert-butylcyclohexane 23.41
    cyclooctane 10.16
    cyclopentanol 111.57
    tetrahydropyran 688.7
    tert-amyl methyl ether 232.54
    2,5,8-trioxanonane 415.0
    1-hexene 93.25
    2-isopropoxyethanol 295.98
    2,2,2-trifluoroethanol 115.47
    methyl butyrate 336.14

    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