3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone

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  • Identifiers

    CAS number
    2196-18-1

    Molecular formula
    C10H12O4

    SMILES
    COC1=C(C=CC(=C1)C(=O)CCO)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 75.43%
    Sweet 72.31%
    Creamy 51.52%
    Balsamic 51.23%
    Powdery 39.42%
    Milky 38.69%
    Spicy 36.85%
    Caramellic 36.18%
    Phenolic 33.88%
    Floral 31.86%

     

    Flavor
    Sweet 61.47%
    Vanilla 37.39%
    Odorless 34.49%
    Creamy 33.2%
    Powdery 32.77%
    Bitter 31.66%
    Mild 30.72%
    Faint 28.68%
    Caramel 27.35%
    Balsamic 25.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    8.85 (weak base)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    391°C

    Flash point

    • 172.62 ˚C est.

  • Synonyms

    • Propiophenone, 3,4'-dihydroxy-3'-methoxy-
    • M22UI268J1
    • Omega-Hydroxypropioguaiacone
    • UNII-M22UI268J1
    • 4-HYDROXYPROPIOGUAIACONE
    • 3,4'-DIHYDROXY-3'-METHOXYPROPIOPHENONE
    • RefChem:25938
    • 3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
    • beta-Hydroxypropiovanillone
    • 2196-18-1
    • 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
    • 1-Propanone, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-
    • .beta.-Hydroxypropiovanillone
    • beta-Hydroxypropiovanillone; omega-Hydroxypropioguaiacone
    • 3-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)propan-1-one
    • ALPHA,4'-DIHYDROXY-3'-METHOXYPROPIOPHENONE
    • 3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
    • CHEMBL485875
    • orb1683077
    • SCHEMBL4545341
    • SCHEMBL29595420
    • DTXSID10176366
    • NXCPMSUBVRGTSE-UHFFFAOYSA-N
    • HY-N2929
    • MFCD20260438
    • .OMEGA.-HYDROXYPROPIOGUAIACONE
    • AKOS022645250
    • |A,4'-Dihydroxy-3'-methoxypropiophenone
    • 3,4'-dihydroxy-3'-methoxy-propiophenone
    • MS-23061
    • CS-0023543
    • beta-hydroxyl-3-methoxyl-4-hydroxyacetophenone
    • -Hydroxypropiovanillone; -Hydroxypropioguaiacone
    • G14076
    • 3-hydroxy-1(3-methoxy-4-hydroxyphenyl)-propan-1-one
    • Q27283375
    • 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl) propan-1-one
    • 3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone #
    • 2196-18-1

  • Applications

    3-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone (CAS 2196-18-1) is primarily used as an intermediate in fragrance and flavor chemistry, serving as a building block for aroma compounds and scent profiles; it may also function as a starting material in cosmetics and personal care formulations where fragrance ingredients are used; it can be used as a pharmaceutical intermediate for the synthesis of related active compounds; it is employed as a specialty chemical intermediate in coatings and inks formulations; and it may be used in broader industrial manufacturing as an aryl ketone building block for custom synthesis of specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 111.72
    methanol 222.87
    isopropanol 73.12
    water 6.22
    ethyl acetate 67.71
    n-propanol 67.58
    acetone 165.6
    n-butanol 46.48
    acetonitrile 62.73
    DMF 517.59
    toluene 5.03
    isobutanol 39.64
    1,4-dioxane 189.09
    methyl acetate 105.53
    THF 290.24
    2-butanone 69.32
    n-pentanol 38.17
    sec-butanol 44.46
    n-hexane 0.43
    ethylene glycol 175.13
    NMP 275.75
    cyclohexane 1.19
    DMSO 862.82
    n-butyl acetate 30.67
    n-octanol 19.69
    chloroform 17.45
    n-propyl acetate 45.41
    acetic acid 222.34
    dichloromethane 39.69
    cyclohexanone 93.59
    propylene glycol 103.1
    isopropyl acetate 31.6
    DMAc 367.29
    2-ethoxyethanol 189.22
    isopentanol 45.77
    n-heptane 1.15
    ethyl formate 66.34
    1,2-dichloroethane 40.58
    n-hexanol 28.26
    2-methoxyethanol 344.2
    isobutyl acetate 23.35
    tetrachloromethane 3.17
    n-pentyl acetate 18.4
    transcutol 228.58
    n-heptanol 18.9
    ethylbenzene 6.45
    MIBK 37.99
    2-propoxyethanol 90.77
    tert-butanol 208.91
    MTBE 48.4
    2-butoxyethanol 52.21
    propionic acid 91.95
    o-xylene 9.31
    formic acid 316.09
    diethyl ether 25.87
    m-xylene 7.71
    p-xylene 9.21
    chlorobenzene 10.49
    dimethyl carbonate 59.21
    n-octane 0.79
    formamide 559.56
    cyclopentanone 168.3
    2-pentanone 54.21
    anisole 41.71
    cyclopentyl methyl ether 53.1
    gamma-butyrolactone 254.51
    1-methoxy-2-propanol 167.54
    pyridine 47.07
    3-pentanone 33.53
    furfural 175.43
    n-dodecane 1.01
    diethylene glycol 158.09
    diisopropyl ether 7.87
    tert-amyl alcohol 97.3
    acetylacetone 98.67
    n-hexadecane 1.12
    acetophenone 49.58
    methyl propionate 75.74
    isopentyl acetate 28.62
    trichloroethylene 60.32
    n-nonanol 18.2
    cyclohexanol 41.77
    benzyl alcohol 46.25
    2-ethylhexanol 18.45
    isooctanol 16.56
    dipropyl ether 16.78
    1,2-dichlorobenzene 16.05
    ethyl lactate 48.67
    propylene carbonate 88.25
    n-methylformamide 259.39
    2-pentanol 25.58
    n-pentane 0.42
    1-propoxy-2-propanol 56.94
    1-methoxy-2-propyl acetate 50.34
    2-(2-methoxypropoxy) propanol 70.14
    mesitylene 6.66
    ε-caprolactone 88.87
    p-cymene 8.09
    epichlorohydrin 200.12
    1,1,1-trichloroethane 16.53
    2-aminoethanol 162.0
    morpholine-4-carbaldehyde 253.84
    sulfolane 334.18
    2,2,4-trimethylpentane 1.09
    2-methyltetrahydrofuran 99.86
    n-hexyl acetate 29.44
    isooctane 0.81
    2-(2-butoxyethoxy)ethanol 82.68
    sec-butyl acetate 24.67
    tert-butyl acetate 49.46
    decalin 1.48
    glycerin 223.31
    diglyme 163.02
    acrylic acid 105.71
    isopropyl myristate 13.71
    n-butyric acid 76.19
    acetyl acetate 45.09
    di(2-ethylhexyl) phthalate 20.12
    ethyl propionate 38.71
    nitromethane 436.35
    1,2-diethoxyethane 43.73
    benzonitrile 34.19
    trioctyl phosphate 15.14
    1-bromopropane 9.0
    gamma-valerolactone 206.68
    n-decanol 14.41
    triethyl phosphate 25.59
    4-methyl-2-pentanol 19.49
    propionitrile 40.83
    vinylene carbonate 78.88
    1,1,2-trichlorotrifluoroethane 161.98
    DMS 41.18
    cumene 6.72
    2-octanol 11.91
    2-hexanone 39.01
    octyl acetate 18.25
    limonene 11.92
    1,2-dimethoxyethane 209.92
    ethyl orthosilicate 21.95
    tributyl phosphate 17.66
    diacetone alcohol 105.08
    N,N-dimethylaniline 32.37
    acrylonitrile 72.11
    aniline 26.18
    1,3-propanediol 162.87
    bromobenzene 7.51
    dibromomethane 16.38
    1,1,2,2-tetrachloroethane 45.02
    2-methyl-cyclohexyl acetate 29.71
    tetrabutyl urea 27.55
    diisobutyl methanol 13.7
    2-phenylethanol 31.81
    styrene 7.47
    dioctyl adipate 27.09
    dimethyl sulfate 133.99
    ethyl butyrate 29.9
    methyl lactate 78.87
    butyl lactate 27.22
    diethyl carbonate 26.55
    propanediol butyl ether 56.48
    triethyl orthoformate 25.95
    p-tert-butyltoluene 8.05
    methyl 4-tert-butylbenzoate 46.43
    morpholine 220.85
    tert-butylamine 48.22
    n-dodecanol 11.55
    dimethoxymethane 209.28
    ethylene carbonate 65.37
    cyrene 86.53
    2-ethoxyethyl acetate 37.52
    2-ethylhexyl acetate 20.11
    1,2,4-trichlorobenzene 22.99
    4-methylpyridine 41.66
    dibutyl ether 15.09
    2,6-dimethyl-4-heptanol 13.7
    DEF 94.15
    dimethyl isosorbide 101.11
    tetrachloroethylene 28.08
    eugenol 49.07
    triacetin 47.92
    span 80 44.65
    1,4-butanediol 74.66
    1,1-dichloroethane 16.19
    2-methyl-1-pentanol 33.9
    methyl formate 222.26
    2-methyl-1-butanol 37.08
    n-decane 1.47
    butyronitrile 34.68
    3,7-dimethyl-1-octanol 18.9
    1-chlorooctane 7.27
    1-chlorotetradecane 3.44
    n-nonane 1.19
    undecane 1.19
    tert-butylcyclohexane 1.4
    cyclooctane 0.63
    cyclopentanol 60.87
    tetrahydropyran 61.2
    tert-amyl methyl ether 36.86
    2,5,8-trioxanonane 126.54
    1-hexene 2.53
    2-isopropoxyethanol 93.73
    2,2,2-trifluoroethanol 115.53
    methyl butyrate 55.29

    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