3-(4-Methoxyphenyl)butan-2-one

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  • Identifiers

    CAS number
    7074-12-6

    Molecular formula
    C11H14O2

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

  • Odor profile

    Fragrance
    Fruity 64.64%
    Floral 57.42%
    Sweet 55.25%
    Herbal 49.38%
    Spicy 41.06%
    Woody 39.38%
    Green 38.85%
    Anisic 35.0%
    Earthy 31.79%
    Berry 30.67%

     

    Flavor
    Sweet 62.56%
    Floral 57.86%
    Fruity 51.29%
    Green 38.81%
    Herbal 38.57%
    Spicy 35.44%
    Fresh 31.75%
    Woody 30.06%
    Rose 29.34%
    Tropical 29.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.83 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point

    • 111.6 ˚C est.

  • Synonyms

    • 3-(4-methoxyphenyl)butan-2-one
    • 7074-12-6
    • DTXSID40311768
    • NSC245177
    • SCHEMBL20608577
    • 3-(p-methoxyphenyl)-2-butanone
    • DTXCID90262892
    • AKOS015784485
    • NSC-245177
    • DS-004581
    • EN300-97026
    • Z1276728136

  • Applications

    3-(4-Methoxyphenyl)butan-2-one (CAS 7074-12-6) is primarily used in perfumery as an aroma compound and synthesis intermediate, providing warm anisyl notes and serving as a building block for more complex fragrance ingredients; it is also evaluated for cosmetics/personal care as a fragrance ingredient and can be used in household products (air fresheners, cleaners) as an odorant; in industrial manufacturing it may serve as an intermediate for the synthesis of other aroma-related compounds and find use in coatings and inks as a scent additive for plastics and polymer materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 375.48
    methanol 453.66
    isopropanol 296.37
    water 6.01
    ethyl acetate 461.57
    n-propanol 304.06
    acetone 458.17
    n-butanol 260.57
    acetonitrile 506.43
    DMF 757.01
    toluene 189.36
    isobutanol 187.21
    1,4-dioxane 1235.58
    methyl acetate 487.33
    THF 571.32
    2-butanone 409.94
    n-pentanol 164.24
    sec-butanol 215.33
    n-hexane 23.63
    ethylene glycol 195.34
    NMP 392.46
    cyclohexane 32.83
    DMSO 741.49
    n-butyl acetate 175.77
    n-octanol 48.85
    chloroform 1605.5
    n-propyl acetate 173.59
    acetic acid 473.56
    dichloromethane 1302.44
    cyclohexanone 408.9
    propylene glycol 184.69
    isopropyl acetate 208.8
    DMAc 737.73
    2-ethoxyethanol 506.33
    isopentanol 229.78
    n-heptane 8.12
    ethyl formate 216.75
    1,2-dichloroethane 853.4
    n-hexanol 133.27
    2-methoxyethanol 766.92
    isobutyl acetate 104.28
    tetrachloromethane 217.48
    n-pentyl acetate 85.41
    transcutol 1282.19
    n-heptanol 54.01
    ethylbenzene 100.9
    MIBK 160.99
    2-propoxyethanol 342.0
    tert-butanol 555.95
    MTBE 429.85
    2-butoxyethanol 147.94
    propionic acid 332.89
    o-xylene 126.07
    formic acid 316.18
    diethyl ether 464.55
    m-xylene 110.76
    p-xylene 117.42
    chlorobenzene 310.99
    dimethyl carbonate 184.36
    n-octane 3.71
    formamide 534.2
    cyclopentanone 358.99
    2-pentanone 251.36
    anisole 343.3
    cyclopentyl methyl ether 242.8
    gamma-butyrolactone 492.53
    1-methoxy-2-propanol 438.76
    pyridine 511.44
    3-pentanone 250.12
    furfural 604.22
    n-dodecane 3.56
    diethylene glycol 394.22
    diisopropyl ether 84.52
    tert-amyl alcohol 350.42
    acetylacetone 347.93
    n-hexadecane 4.11
    acetophenone 230.92
    methyl propionate 337.34
    isopentyl acetate 167.49
    trichloroethylene 1446.43
    n-nonanol 46.84
    cyclohexanol 210.63
    benzyl alcohol 231.42
    2-ethylhexanol 76.05
    isooctanol 47.45
    dipropyl ether 93.82
    1,2-dichlorobenzene 302.4
    ethyl lactate 102.49
    propylene carbonate 254.55
    n-methylformamide 404.58
    2-pentanol 145.34
    n-pentane 16.53
    1-propoxy-2-propanol 188.7
    1-methoxy-2-propyl acetate 237.75
    2-(2-methoxypropoxy) propanol 210.88
    mesitylene 68.54
    ε-caprolactone 352.46
    p-cymene 48.23
    epichlorohydrin 862.46
    1,1,1-trichloroethane 781.59
    2-aminoethanol 298.0
    morpholine-4-carbaldehyde 728.58
    sulfolane 531.6
    2,2,4-trimethylpentane 15.96
    2-methyltetrahydrofuran 426.82
    n-hexyl acetate 133.44
    isooctane 10.84
    2-(2-butoxyethoxy)ethanol 277.7
    sec-butyl acetate 129.44
    tert-butyl acetate 258.28
    decalin 23.2
    glycerin 310.13
    diglyme 563.08
    acrylic acid 320.21
    isopropyl myristate 53.38
    n-butyric acid 307.38
    acetyl acetate 272.31
    di(2-ethylhexyl) phthalate 66.33
    ethyl propionate 189.01
    nitromethane 896.41
    1,2-diethoxyethane 339.44
    benzonitrile 221.49
    trioctyl phosphate 38.56
    1-bromopropane 327.82
    gamma-valerolactone 707.71
    n-decanol 34.75
    triethyl phosphate 90.74
    4-methyl-2-pentanol 89.86
    propionitrile 328.94
    vinylene carbonate 304.97
    1,1,2-trichlorotrifluoroethane 631.9
    DMS 221.45
    cumene 68.11
    2-octanol 34.63
    2-hexanone 181.36
    octyl acetate 64.35
    limonene 63.66
    1,2-dimethoxyethane 706.77
    ethyl orthosilicate 88.31
    tributyl phosphate 61.98
    diacetone alcohol 282.6
    N,N-dimethylaniline 179.51
    acrylonitrile 415.68
    aniline 331.77
    1,3-propanediol 385.34
    bromobenzene 305.34
    dibromomethane 755.16
    1,1,2,2-tetrachloroethane 1175.11
    2-methyl-cyclohexyl acetate 118.75
    tetrabutyl urea 73.22
    diisobutyl methanol 51.04
    2-phenylethanol 168.7
    styrene 145.28
    dioctyl adipate 91.32
    dimethyl sulfate 304.12
    ethyl butyrate 130.51
    methyl lactate 174.46
    butyl lactate 83.37
    diethyl carbonate 117.34
    propanediol butyl ether 148.29
    triethyl orthoformate 108.88
    p-tert-butyltoluene 50.39
    methyl 4-tert-butylbenzoate 154.58
    morpholine 1083.77
    tert-butylamine 284.12
    n-dodecanol 26.98
    dimethoxymethane 451.69
    ethylene carbonate 257.44
    cyrene 199.63
    2-ethoxyethyl acetate 205.8
    2-ethylhexyl acetate 133.18
    1,2,4-trichlorobenzene 367.79
    4-methylpyridine 438.01
    dibutyl ether 78.8
    2,6-dimethyl-4-heptanol 51.04
    DEF 333.65
    dimethyl isosorbide 314.93
    tetrachloroethylene 752.19
    eugenol 166.13
    triacetin 173.85
    span 80 129.29
    1,4-butanediol 152.05
    1,1-dichloroethane 774.99
    2-methyl-1-pentanol 157.23
    methyl formate 287.44
    2-methyl-1-butanol 195.0
    n-decane 5.9
    butyronitrile 234.86
    3,7-dimethyl-1-octanol 65.86
    1-chlorooctane 37.32
    1-chlorotetradecane 15.17
    n-nonane 5.2
    undecane 4.39
    tert-butylcyclohexane 22.65
    cyclooctane 9.72
    cyclopentanol 182.27
    tetrahydropyran 585.47
    tert-amyl methyl ether 257.66
    2,5,8-trioxanonane 401.02
    1-hexene 87.97
    2-isopropoxyethanol 288.88
    2,2,2-trifluoroethanol 257.78
    methyl butyrate 209.92

    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