1-(2-Hydroxyphenyl)-3-(4-pyridinyl)-1-propanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1186004-10-3

    Molecular formula
    C14H13NO2

    SMILES
    C1=CC=C(C(=C1)C(=O)CCC2=CC=NC=C2)O

  • Odor profile

    Sweet 74.48%
    Balsamic 40.29%
    Vanilla 34.37%
    Spicy 32.57%
    Bitter 27.51%
    Herbal 26.44%
    Phenolic 26.23%
    Floral 26.18%
    Honey 25.76%
    Aromatic 25.74%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.14 (weak base)

    Molecular weight
    227.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    391°C

    Flash point est.
    188.77 ˚C

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1-(2-hydroxyphenyl)-3-(pyridin-4-yl)propan-1-one
    • 1186004-10-3
    • Fema No. 4721
    • 3086SB35E6
    • 1-(2-hydroxyphenyl)-3-(pyridine-4-yl)propan-1-one
    • DTXSID501019574
    • 1-(2-Hydroxyphenyl)-3-(4-pyridinyl)-1-propanone
    • 1-Propanone, 1-(2-hydroxyphenyl)-3-(4-pyridinyl)-
    • 1-(2-hydroxyphenyl)-3-pyridin-4-ylpropan-1-one
    • SCHEMBL1733117
    • UNII-3086SB35E6
    • DTXCID401477527

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.1
    methanol 39.71
    isopropanol 16.42
    water 0.13
    ethyl acetate 44.74
    n-propanol 23.24
    acetone 31.93
    n-butanol 17.8
    acetonitrile 32.09
    DMF 102.0
    toluene 23.38
    isobutanol 12.04
    1,4-dioxane 108.58
    methyl acetate 44.64
    THF 130.81
    2-butanone 48.73
    n-pentanol 17.15
    sec-butanol 13.45
    n-hexane 0.25
    ethylene glycol 18.82
    NMP 38.88
    cyclohexane 0.36
    DMSO 266.09
    n-butyl acetate 28.53
    n-octanol 3.64
    chloroform 59.16
    n-propyl acetate 28.36
    acetic acid 59.38
    dichloromethane 46.17
    cyclohexanone 59.77
    propylene glycol 20.31
    isopropyl acetate 26.57
    DMAc 206.23
    2-ethoxyethanol 63.38
    isopentanol 19.31
    n-heptane 0.43
    ethyl formate 22.23
    1,2-dichloroethane 69.02
    n-hexanol 16.61
    2-methoxyethanol 109.98
    isobutyl acetate 19.17
    tetrachloromethane 3.57
    n-pentyl acetate 10.77
    transcutol 355.14
    n-heptanol 7.39
    ethylbenzene 9.27
    MIBK 28.13
    2-propoxyethanol 58.39
    tert-butanol 35.46
    MTBE 20.4
    2-butoxyethanol 28.62
    propionic acid 35.21
    o-xylene 12.86
    formic acid 38.44
    diethyl ether 21.63
    m-xylene 11.87
    p-xylene 11.6
    chlorobenzene 25.99
    dimethyl carbonate 36.25
    n-octane 0.2
    formamide 88.3
    cyclopentanone 67.8
    2-pentanone 33.05
    anisole 35.36
    cyclopentyl methyl ether 30.42
    gamma-butyrolactone 87.08
    1-methoxy-2-propanol 69.4
    pyridine 84.73
    3-pentanone 32.36
    furfural 95.89
    n-dodecane 0.31
    diethylene glycol 73.77
    diisopropyl ether 5.22
    tert-amyl alcohol 22.39
    acetylacetone 66.03
    n-hexadecane 0.37
    acetophenone 36.45
    methyl propionate 41.26
    isopentyl acetate 27.69
    trichloroethylene 123.89
    n-nonanol 4.48
    cyclohexanol 15.94
    benzyl alcohol 30.99
    2-ethylhexanol 10.37
    isooctanol 7.24
    dipropyl ether 13.85
    1,2-dichlorobenzene 24.86
    ethyl lactate 21.9
    propylene carbonate 40.86
    n-methylformamide 52.55
    2-pentanol 10.51
    n-pentane 0.16
    1-propoxy-2-propanol 39.29
    1-methoxy-2-propyl acetate 50.33
    2-(2-methoxypropoxy) propanol 46.87
    mesitylene 6.38
    ε-caprolactone 43.98
    p-cymene 7.02
    epichlorohydrin 128.57
    1,1,1-trichloroethane 29.3
    2-aminoethanol 33.84
    morpholine-4-carbaldehyde 90.12
    sulfolane 116.53
    2,2,4-trimethylpentane 0.64
    2-methyltetrahydrofuran 40.26
    n-hexyl acetate 13.13
    isooctane 0.52
    2-(2-butoxyethoxy)ethanol 63.52
    sec-butyl acetate 21.2
    tert-butyl acetate 33.07
    decalin 0.9
    glycerin 51.65
    diglyme 135.61
    acrylic acid 37.9
    isopropyl myristate 8.07
    n-butyric acid 41.58
    acetyl acetate 32.86
    di(2-ethylhexyl) phthalate 12.31
    ethyl propionate 29.31
    nitromethane 133.07
    1,2-diethoxyethane 58.5
    benzonitrile 32.38
    trioctyl phosphate 7.3
    1-bromopropane 14.24
    gamma-valerolactone 107.41
    n-decanol 3.98
    triethyl phosphate 17.62
    4-methyl-2-pentanol 9.99
    propionitrile 32.92
    vinylene carbonate 44.82
    1,1,2-trichlorotrifluoroethane 95.87
    DMS 30.49
    cumene 6.6
    2-octanol 3.49
    2-hexanone 29.16
    octyl acetate 9.19
    limonene 8.5
    1,2-dimethoxyethane 98.86
    ethyl orthosilicate 16.28
    tributyl phosphate 10.51
    diacetone alcohol 50.73
    N,N-dimethylaniline 22.37
    acrylonitrile 53.17
    aniline 41.42
    1,3-propanediol 46.53
    bromobenzene 21.83
    dibromomethane 24.72
    1,1,2,2-tetrachloroethane 96.96
    2-methyl-cyclohexyl acetate 22.39
    tetrabutyl urea 15.31
    diisobutyl methanol 8.52
    2-phenylethanol 28.07
    styrene 12.5
    dioctyl adipate 17.02
    dimethyl sulfate 63.21
    ethyl butyrate 26.47
    methyl lactate 35.62
    butyl lactate 16.59
    diethyl carbonate 21.71
    propanediol butyl ether 22.24
    triethyl orthoformate 22.08
    p-tert-butyltoluene 6.69
    methyl 4-tert-butylbenzoate 28.59
    morpholine 107.81
    tert-butylamine 14.06
    n-dodecanol 3.48
    dimethoxymethane 95.76
    ethylene carbonate 35.54
    cyrene 41.54
    2-ethoxyethyl acetate 31.06
    2-ethylhexyl acetate 19.72
    1,2,4-trichlorobenzene 33.8
    4-methylpyridine 49.98
    dibutyl ether 8.77
    2,6-dimethyl-4-heptanol 8.52
    DEF 42.58
    dimethyl isosorbide 70.46
    tetrachloroethylene 50.17
    eugenol 32.83
    triacetin 29.45
    span 80 26.54
    1,4-butanediol 17.75
    1,1-dichloroethane 29.87
    2-methyl-1-pentanol 18.13
    methyl formate 37.11
    2-methyl-1-butanol 14.81
    n-decane 0.4
    butyronitrile 23.47
    3,7-dimethyl-1-octanol 7.23
    1-chlorooctane 2.36
    1-chlorotetradecane 1.48
    n-nonane 0.29
    undecane 0.35
    tert-butylcyclohexane 0.94
    cyclooctane 0.18
    cyclopentanol 13.87
    tetrahydropyran 50.18
    tert-amyl methyl ether 16.91
    2,5,8-trioxanonane 94.65
    1-hexene 2.7
    2-isopropoxyethanol 40.19
    2,2,2-trifluoroethanol 24.64
    methyl butyrate 34.25

    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