1-(2-Hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-1-propanone

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  • Identifiers

    CAS number
    1190229-37-8

    Molecular formula
    C15H15NO3

    SMILES
    COC1=CC(=C(C=C1)C(=O)CCC2=CC=CC=N2)O

  • Odor profile

    Sweet 76.44%
    Vanilla 42.31%
    Balsamic 28.08%
    Spicy 26.51%
    Powdery 24.4%
    Creamy 24.35%
    Savory 23.08%
    Aromatic 23.05%
    Odorless 22.15%
    Bitter 22.01%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.85 (neutral)

    Molecular weight
    257.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    401°C

    Flash point est.
    190.41 ˚C

    Solubility expt.

    • Practically insoluble in phosphate buffer
    • Soluble (in ethanol)

  • Synonyms

    • 1-(2-hydroxy-4-methoxyphenyl)-3-(pyridin-2-yl)propan-1-one
    • 1190229-37-8
    • EJ17MZ1LNZ
    • Fema No. 4723
    • UNII-EJ17MZ1LNZ
    • 1-Propanone, 1-(2-hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-
    • 1-(2-Hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-1-propanone
    • DTXSID401019569
    • 1-(2-hydroxy-4-methoxyphenyl)-3-pyridin-2-ylpropan-1-one
    • SCHEMBL787766
    • DTXCID601477523
    • 1-(2-hydroxy-4-methoxyphenyl)-3-(2-pyridyl)-1-propanone

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.12
    methanol 22.06
    isopropanol 11.44
    water 0.06
    ethyl acetate 42.11
    n-propanol 14.67
    acetone 87.31
    n-butanol 11.72
    acetonitrile 53.32
    DMF 173.82
    toluene 14.84
    isobutanol 10.12
    1,4-dioxane 76.28
    methyl acetate 49.86
    THF 231.69
    2-butanone 67.89
    n-pentanol 9.53
    sec-butanol 11.22
    n-hexane 0.31
    ethylene glycol 16.02
    NMP 122.72
    cyclohexane 0.52
    DMSO 712.65
    n-butyl acetate 20.83
    n-octanol 2.07
    chloroform 126.3
    n-propyl acetate 22.03
    acetic acid 69.91
    dichloromethane 161.21
    cyclohexanone 78.15
    propylene glycol 20.27
    isopropyl acetate 23.38
    DMAc 325.0
    2-ethoxyethanol 52.32
    isopentanol 12.58
    n-heptane 0.33
    ethyl formate 23.71
    1,2-dichloroethane 124.71
    n-hexanol 7.16
    2-methoxyethanol 92.41
    isobutyl acetate 12.67
    tetrachloromethane 6.63
    n-pentyl acetate 7.04
    transcutol 250.17
    n-heptanol 3.35
    ethylbenzene 6.01
    MIBK 21.83
    2-propoxyethanol 42.4
    tert-butanol 26.34
    MTBE 18.61
    2-butoxyethanol 18.09
    propionic acid 33.36
    o-xylene 9.1
    formic acid 42.09
    diethyl ether 20.71
    m-xylene 7.24
    p-xylene 7.86
    chlorobenzene 29.81
    dimethyl carbonate 44.41
    n-octane 0.12
    formamide 111.79
    cyclopentanone 134.77
    2-pentanone 36.94
    anisole 33.11
    cyclopentyl methyl ether 39.89
    gamma-butyrolactone 151.27
    1-methoxy-2-propanol 63.6
    pyridine 72.45
    3-pentanone 38.76
    furfural 128.17
    n-dodecane 0.16
    diethylene glycol 58.1
    diisopropyl ether 4.55
    tert-amyl alcohol 19.63
    acetylacetone 82.62
    n-hexadecane 0.19
    acetophenone 35.06
    methyl propionate 48.64
    isopentyl acetate 20.39
    trichloroethylene 225.03
    n-nonanol 2.52
    cyclohexanol 14.65
    benzyl alcohol 27.78
    2-ethylhexanol 6.09
    isooctanol 3.6
    dipropyl ether 10.69
    1,2-dichlorobenzene 29.81
    ethyl lactate 20.05
    propylene carbonate 53.51
    n-methylformamide 65.32
    2-pentanol 7.1
    n-pentane 0.21
    1-propoxy-2-propanol 28.3
    1-methoxy-2-propyl acetate 47.36
    2-(2-methoxypropoxy) propanol 41.17
    mesitylene 4.47
    ε-caprolactone 56.35
    p-cymene 4.8
    epichlorohydrin 232.44
    1,1,1-trichloroethane 53.53
    2-aminoethanol 23.73
    morpholine-4-carbaldehyde 128.22
    sulfolane 250.52
    2,2,4-trimethylpentane 0.56
    2-methyltetrahydrofuran 66.31
    n-hexyl acetate 10.25
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 44.76
    sec-butyl acetate 14.82
    tert-butyl acetate 28.7
    decalin 0.74
    glycerin 55.56
    diglyme 112.16
    acrylic acid 45.14
    isopropyl myristate 5.47
    n-butyric acid 32.03
    acetyl acetate 38.32
    di(2-ethylhexyl) phthalate 10.53
    ethyl propionate 24.99
    nitromethane 223.08
    1,2-diethoxyethane 37.85
    benzonitrile 30.7
    trioctyl phosphate 5.15
    1-bromopropane 23.56
    gamma-valerolactone 145.31
    n-decanol 2.02
    triethyl phosphate 18.48
    4-methyl-2-pentanol 5.65
    propionitrile 33.2
    vinylene carbonate 52.67
    1,1,2-trichlorotrifluoroethane 144.94
    DMS 32.25
    cumene 4.35
    2-octanol 1.83
    2-hexanone 24.15
    octyl acetate 6.56
    limonene 6.77
    1,2-dimethoxyethane 95.11
    ethyl orthosilicate 15.54
    tributyl phosphate 8.79
    diacetone alcohol 43.22
    N,N-dimethylaniline 19.86
    acrylonitrile 55.14
    aniline 38.57
    1,3-propanediol 32.3
    bromobenzene 27.19
    dibromomethane 73.4
    1,1,2,2-tetrachloroethane 149.21
    2-methyl-cyclohexyl acetate 19.22
    tetrabutyl urea 12.69
    diisobutyl methanol 4.97
    2-phenylethanol 20.17
    styrene 9.03
    dioctyl adipate 15.28
    dimethyl sulfate 110.87
    ethyl butyrate 21.67
    methyl lactate 41.84
    butyl lactate 12.84
    diethyl carbonate 20.24
    propanediol butyl ether 16.96
    triethyl orthoformate 19.98
    p-tert-butyltoluene 4.61
    methyl 4-tert-butylbenzoate 26.65
    morpholine 96.21
    tert-butylamine 9.31
    n-dodecanol 1.67
    dimethoxymethane 102.19
    ethylene carbonate 41.29
    cyrene 47.82
    2-ethoxyethyl acetate 23.94
    2-ethylhexyl acetate 15.31
    1,2,4-trichlorobenzene 42.62
    4-methylpyridine 52.98
    dibutyl ether 5.43
    2,6-dimethyl-4-heptanol 4.97
    DEF 53.52
    dimethyl isosorbide 71.89
    tetrachloroethylene 73.64
    eugenol 26.9
    triacetin 29.55
    span 80 21.42
    1,4-butanediol 11.96
    1,1-dichloroethane 62.44
    2-methyl-1-pentanol 11.61
    methyl formate 49.26
    2-methyl-1-butanol 11.49
    n-decane 0.23
    butyronitrile 20.69
    3,7-dimethyl-1-octanol 4.15
    1-chlorooctane 1.53
    1-chlorotetradecane 0.83
    n-nonane 0.18
    undecane 0.18
    tert-butylcyclohexane 0.66
    cyclooctane 0.21
    cyclopentanol 20.35
    tetrahydropyran 49.09
    tert-amyl methyl ether 16.19
    2,5,8-trioxanonane 83.73
    1-hexene 2.18
    2-isopropoxyethanol 31.11
    2,2,2-trifluoroethanol 39.34
    methyl butyrate 29.61

    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