1-(3,4-Dimethoxyphenyl)butan-2-one

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  • Identifiers

    CAS number
    884-06-0

    Molecular formula
    C12H16O3

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 69.02%
    Sweet 60.53%
    Vanilla 48.38%
    Floral 46.38%
    Spicy 41.01%
    Caramellic 40.74%
    Woody 38.56%
    Creamy 36.66%
    Powdery 34.81%
    Berry 32.39%

     

    Flavor
    Sweet 63.87%
    Fruity 46.05%
    Spicy 45.17%
    Woody 38.18%
    Spice 37.22%
    Floral 31.11%
    Vanilla 29.96%
    Caramel 28.64%
    Musty 28.03%
    Creamy 27.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.45 (weak base)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    323°C

    Flash point

    • 121.1 ˚C est.

  • Synonyms

    • 1-(3,4-dimethoxyphenyl)butan-2-one
    • 884-06-0
    • 1-(3,4-dimethoxyphenyl)-2-butanone
    • MFCD00027022
    • Veratrylpropan-1-one; NSC 78466;
    • veratrylpropan-1-one
    • 2-Butanone,1-(3,4-dimethoxyphenyl)-
    • NSC78466
    • SCHEMBL8373034
    • SCHEMBL31618757
    • DTXSID70291822
    • NSC-78466
    • AKOS006035501
    • NS-02298
    • DB-290651
    • EN300-121998
    • G45989
    • Z599781402
    • 884-06-0

  • Applications

    1-(3,4-Dimethoxyphenyl)butan-2-one (CAS 884-06-0) is primarily used as a fragrance intermediate in perfumery, serving as an odorant and sometimes as a fixative in formulations. It can also function as a fragrance component in cosmetics and personal care products. In household products, it may be employed as an aroma additive in cleaners and detergents. In industrial manufacturing, it is used as an intermediate in the synthesis of other aromatic compounds and specialty chemicals. In coatings and inks, it may be incorporated for fragrance purposes or as a building block in fragrance-related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.2
    methanol 216.6
    isopropanol 130.56
    water 1.74
    ethyl acetate 510.0
    n-propanol 138.91
    acetone 939.74
    n-butanol 132.34
    acetonitrile 672.39
    DMF 990.72
    toluene 110.05
    isobutanol 111.72
    1,4-dioxane 662.03
    methyl acetate 502.26
    THF 631.55
    2-butanone 443.24
    n-pentanol 120.19
    sec-butanol 126.63
    n-hexane 24.93
    ethylene glycol 123.01
    NMP 643.21
    cyclohexane 47.65
    DMSO 1360.65
    n-butyl acetate 293.33
    n-octanol 69.38
    chloroform 1771.69
    n-propyl acetate 293.97
    acetic acid 752.89
    dichloromethane 1981.56
    cyclohexanone 588.81
    propylene glycol 98.8
    isopropyl acetate 245.76
    DMAc 701.52
    2-ethoxyethanol 401.31
    isopentanol 138.92
    n-heptane 12.5
    ethyl formate 373.98
    1,2-dichloroethane 1282.86
    n-hexanol 109.49
    2-methoxyethanol 530.14
    isobutyl acetate 157.15
    tetrachloromethane 268.49
    n-pentyl acetate 155.17
    transcutol 833.46
    n-heptanol 59.36
    ethylbenzene 101.41
    MIBK 206.27
    2-propoxyethanol 253.61
    tert-butanol 300.3
    MTBE 268.3
    2-butoxyethanol 146.44
    propionic acid 348.44
    o-xylene 113.85
    formic acid 301.65
    diethyl ether 319.8
    m-xylene 101.53
    p-xylene 125.98
    chlorobenzene 365.69
    dimethyl carbonate 266.18
    n-octane 7.7
    formamide 578.56
    cyclopentanone 726.7
    2-pentanone 337.24
    anisole 275.94
    cyclopentyl methyl ether 303.3
    gamma-butyrolactone 966.17
    1-methoxy-2-propanol 315.74
    pyridine 448.06
    3-pentanone 305.7
    furfural 820.24
    n-dodecane 7.2
    diethylene glycol 276.08
    diisopropyl ether 87.71
    tert-amyl alcohol 225.28
    acetylacetone 549.25
    n-hexadecane 8.61
    acetophenone 286.62
    methyl propionate 381.09
    isopentyl acetate 235.55
    trichloroethylene 2189.67
    n-nonanol 62.87
    cyclohexanol 184.51
    benzyl alcohol 202.37
    2-ethylhexanol 88.13
    isooctanol 56.02
    dipropyl ether 116.27
    1,2-dichlorobenzene 413.2
    ethyl lactate 163.5
    propylene carbonate 535.75
    n-methylformamide 487.19
    2-pentanol 103.54
    n-pentane 17.18
    1-propoxy-2-propanol 181.12
    1-methoxy-2-propyl acetate 270.15
    2-(2-methoxypropoxy) propanol 194.7
    mesitylene 77.09
    ε-caprolactone 485.57
    p-cymene 69.0
    epichlorohydrin 1060.25
    1,1,1-trichloroethane 971.94
    2-aminoethanol 141.98
    morpholine-4-carbaldehyde 639.75
    sulfolane 1132.09
    2,2,4-trimethylpentane 16.85
    2-methyltetrahydrofuran 424.96
    n-hexyl acetate 214.36
    isooctane 11.37
    2-(2-butoxyethoxy)ethanol 239.58
    sec-butyl acetate 174.56
    tert-butyl acetate 295.11
    decalin 30.92
    glycerin 220.93
    diglyme 551.52
    acrylic acid 406.81
    isopropyl myristate 79.55
    n-butyric acid 367.21
    acetyl acetate 432.01
    di(2-ethylhexyl) phthalate 84.27
    ethyl propionate 273.66
    nitromethane 1639.21
    1,2-diethoxyethane 271.22
    benzonitrile 298.44
    trioctyl phosphate 60.02
    1-bromopropane 388.02
    gamma-valerolactone 760.1
    n-decanol 47.56
    triethyl phosphate 140.49
    4-methyl-2-pentanol 70.32
    propionitrile 322.78
    vinylene carbonate 519.88
    1,1,2-trichlorotrifluoroethane 812.69
    DMS 293.44
    cumene 75.34
    2-octanol 48.9
    2-hexanone 240.32
    octyl acetate 103.63
    limonene 96.5
    1,2-dimethoxyethane 606.81
    ethyl orthosilicate 119.57
    tributyl phosphate 90.76
    diacetone alcohol 284.26
    N,N-dimethylaniline 177.94
    acrylonitrile 505.83
    aniline 214.21
    1,3-propanediol 208.05
    bromobenzene 398.05
    dibromomethane 1116.82
    1,1,2,2-tetrachloroethane 1563.18
    2-methyl-cyclohexyl acetate 176.64
    tetrabutyl urea 113.49
    diisobutyl methanol 58.69
    2-phenylethanol 162.77
    styrene 137.63
    dioctyl adipate 135.38
    dimethyl sulfate 496.35
    ethyl butyrate 210.89
    methyl lactate 214.54
    butyl lactate 125.74
    diethyl carbonate 185.75
    propanediol butyl ether 150.49
    triethyl orthoformate 148.9
    p-tert-butyltoluene 66.5
    methyl 4-tert-butylbenzoate 206.6
    morpholine 608.85
    tert-butylamine 162.79
    n-dodecanol 37.44
    dimethoxymethane 483.1
    ethylene carbonate 422.61
    cyrene 237.28
    2-ethoxyethyl acetate 246.75
    2-ethylhexyl acetate 190.07
    1,2,4-trichlorobenzene 444.56
    4-methylpyridine 388.13
    dibutyl ether 116.44
    2,6-dimethyl-4-heptanol 58.69
    DEF 426.05
    dimethyl isosorbide 327.62
    tetrachloroethylene 1030.89
    eugenol 189.93
    triacetin 261.9
    span 80 138.4
    1,4-butanediol 109.96
    1,1-dichloroethane 916.19
    2-methyl-1-pentanol 124.23
    methyl formate 523.77
    2-methyl-1-butanol 132.06
    n-decane 12.18
    butyronitrile 281.83
    3,7-dimethyl-1-octanol 76.78
    1-chlorooctane 65.65
    1-chlorotetradecane 27.65
    n-nonane 11.49
    undecane 8.93
    tert-butylcyclohexane 25.83
    cyclooctane 15.73
    cyclopentanol 189.87
    tetrahydropyran 422.72
    tert-amyl methyl ether 198.23
    2,5,8-trioxanonane 357.04
    1-hexene 87.24
    2-isopropoxyethanol 232.51
    2,2,2-trifluoroethanol 399.25
    methyl butyrate 367.09

    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