1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5650-43-1

    Molecular formula
    C11H14O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 70.97%
    Vanilla 70.54%
    Fruity 63.85%
    Floral 61.61%
    Balsamic 50.61%
    Powdery 46.4%
    Spicy 44.95%
    Creamy 42.31%
    Caramellic 38.07%
    Woody 37.73%

     

    Flavor
    Sweet 50.74%
    Woody 46.27%
    Smoky 36.13%
    Caramel 34.77%
    Vanilla 34.69%
    Spice 33.3%
    Phenolic 32.25%
    Powdery 29.4%
    Spicy 27.91%
    Creamy 27.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.87 (weak base)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 139.76 ˚C est.

  • Synonyms

    • Propiosyringone
    • 5650-43-1
    • 1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-
    • 1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
    • Propiophenone, 4'-hydroxy-3',5'-dimethoxy-
    • 1-(3,5-Dimethoxy-4-hydroxyphenyl)-1-propanone
    • DTXSID10884176
    • 1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)
    • SCHEMBL9702085
    • DTXCID901023636
    • FAA65043
    • 3,5-Dimethoxy-4-hydroxypropiophenone
    • AKOS023704194
    • TS-10204
    • NS00120875
    • EN300-261322
    • G53515
    • 1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
    • Z1513804307

  • Applications

    1-Propanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)- (CAS 5650-43-1) is a substituted aryl ketone that mainly serves as an intermediate in organic synthesis. In perfumery and flavor applications it may function as a fragrance odorant precursor and aroma-building block. In cosmetics/personal care and household products it can be used as a fragrance ingredient or scent additive, within formulation and regulatory limits. In industrial manufacturing it is employed as a building block for synthesizing substituted acetophenone derivatives used in polymers, coatings and inks. In pharmaceutical and agrochemical research it is evaluated as a synthetic intermediate for the development of more complex molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.76
    methanol 126.9
    isopropanol 54.22
    water 0.99
    ethyl acetate 164.14
    n-propanol 60.72
    acetone 269.08
    n-butanol 46.99
    acetonitrile 158.94
    DMF 331.39
    toluene 50.97
    isobutanol 36.83
    1,4-dioxane 298.84
    methyl acetate 229.15
    THF 363.01
    2-butanone 157.54
    n-pentanol 37.51
    sec-butanol 42.64
    n-hexane 1.75
    ethylene glycol 60.2
    NMP 302.02
    cyclohexane 8.43
    DMSO 442.98
    n-butyl acetate 83.27
    n-octanol 24.65
    chloroform 270.68
    n-propyl acetate 99.37
    acetic acid 274.68
    dichloromethane 411.1
    cyclohexanone 218.69
    propylene glycol 29.85
    isopropyl acetate 68.75
    DMAc 272.21
    2-ethoxyethanol 146.12
    isopentanol 43.39
    n-heptane 2.86
    ethyl formate 165.16
    1,2-dichloroethane 268.41
    n-hexanol 37.79
    2-methoxyethanol 253.03
    isobutyl acetate 49.44
    tetrachloromethane 40.48
    n-pentyl acetate 50.21
    transcutol 197.56
    n-heptanol 26.24
    ethylbenzene 34.86
    MIBK 50.72
    2-propoxyethanol 98.04
    tert-butanol 110.81
    MTBE 72.21
    2-butoxyethanol 70.56
    propionic acid 109.67
    o-xylene 41.92
    formic acid 149.35
    diethyl ether 67.07
    m-xylene 33.18
    p-xylene 50.71
    chlorobenzene 98.13
    dimethyl carbonate 105.15
    n-octane 1.99
    formamide 365.86
    cyclopentanone 312.22
    2-pentanone 96.53
    anisole 93.73
    cyclopentyl methyl ether 86.16
    gamma-butyrolactone 458.67
    1-methoxy-2-propanol 106.81
    pyridine 255.15
    3-pentanone 85.47
    furfural 394.96
    n-dodecane 2.2
    diethylene glycol 119.39
    diisopropyl ether 16.03
    tert-amyl alcohol 72.49
    acetylacetone 186.76
    n-hexadecane 2.61
    acetophenone 111.99
    methyl propionate 134.86
    isopentyl acetate 71.8
    trichloroethylene 504.81
    n-nonanol 24.05
    cyclohexanol 61.88
    benzyl alcohol 94.44
    2-ethylhexanol 29.21
    isooctanol 23.3
    dipropyl ether 28.82
    1,2-dichlorobenzene 100.4
    ethyl lactate 49.66
    propylene carbonate 194.37
    n-methylformamide 216.9
    2-pentanol 25.84
    n-pentane 1.88
    1-propoxy-2-propanol 54.83
    1-methoxy-2-propyl acetate 82.31
    2-(2-methoxypropoxy) propanol 66.47
    mesitylene 21.47
    ε-caprolactone 188.65
    p-cymene 24.11
    epichlorohydrin 414.08
    1,1,1-trichloroethane 176.78
    2-aminoethanol 68.44
    morpholine-4-carbaldehyde 291.45
    sulfolane 420.51
    2,2,4-trimethylpentane 3.1
    2-methyltetrahydrofuran 183.93
    n-hexyl acetate 61.94
    isooctane 1.78
    2-(2-butoxyethoxy)ethanol 82.38
    sec-butyl acetate 52.2
    tert-butyl acetate 82.64
    decalin 6.04
    glycerin 73.83
    diglyme 202.62
    acrylic acid 133.83
    isopropyl myristate 24.83
    n-butyric acid 121.73
    acetyl acetate 128.45
    di(2-ethylhexyl) phthalate 34.04
    ethyl propionate 76.98
    nitromethane 566.05
    1,2-diethoxyethane 69.86
    benzonitrile 108.36
    trioctyl phosphate 22.15
    1-bromopropane 64.5
    gamma-valerolactone 357.14
    n-decanol 18.61
    triethyl phosphate 47.25
    4-methyl-2-pentanol 17.82
    propionitrile 94.94
    vinylene carbonate 202.29
    1,1,2-trichlorotrifluoroethane 268.96
    DMS 83.51
    cumene 24.22
    2-octanol 17.7
    2-hexanone 70.83
    octyl acetate 32.54
    limonene 30.7
    1,2-dimethoxyethane 240.32
    ethyl orthosilicate 40.8
    tributyl phosphate 26.82
    diacetone alcohol 99.19
    N,N-dimethylaniline 62.92
    acrylonitrile 167.93
    aniline 91.86
    1,3-propanediol 100.81
    bromobenzene 92.66
    dibromomethane 195.46
    1,1,2,2-tetrachloroethane 303.94
    2-methyl-cyclohexyl acetate 61.67
    tetrabutyl urea 37.45
    diisobutyl methanol 19.18
    2-phenylethanol 75.17
    styrene 45.82
    dioctyl adipate 46.91
    dimethyl sulfate 166.11
    ethyl butyrate 68.61
    methyl lactate 69.3
    butyl lactate 37.85
    diethyl carbonate 63.89
    propanediol butyl ether 49.63
    triethyl orthoformate 50.75
    p-tert-butyltoluene 22.94
    methyl 4-tert-butylbenzoate 76.55
    morpholine 266.36
    tert-butylamine 45.29
    n-dodecanol 14.58
    dimethoxymethane 206.87
    ethylene carbonate 153.68
    cyrene 99.52
    2-ethoxyethyl acetate 84.42
    2-ethylhexyl acetate 55.26
    1,2,4-trichlorobenzene 121.11
    4-methylpyridine 174.84
    dibutyl ether 27.85
    2,6-dimethyl-4-heptanol 19.18
    DEF 130.57
    dimethyl isosorbide 130.1
    tetrachloroethylene 228.99
    eugenol 76.65
    triacetin 80.8
    span 80 47.69
    1,4-butanediol 38.04
    1,1-dichloroethane 158.66
    2-methyl-1-pentanol 38.59
    methyl formate 254.73
    2-methyl-1-butanol 37.97
    n-decane 3.3
    butyronitrile 77.35
    3,7-dimethyl-1-octanol 24.2
    1-chlorooctane 17.47
    1-chlorotetradecane 7.97
    n-nonane 2.71
    undecane 2.65
    tert-butylcyclohexane 4.88
    cyclooctane 2.58
    cyclopentanol 82.2
    tetrahydropyran 157.06
    tert-amyl methyl ether 49.33
    2,5,8-trioxanonane 134.61
    1-hexene 9.39
    2-isopropoxyethanol 83.68
    2,2,2-trifluoroethanol 128.49
    methyl butyrate 112.65

    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