1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1190230-47-7

    Molecular formula
    C18H21NO3

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

  • Odor profile

    Sweet 80.28%
    Vanilla 38.54%
    Balsamic 30.88%
    Floral 27.63%
    Spicy 25.3%
    Powdery 24.74%
    Chocolate 23.55%
    Creamy 23.09%
    Aromatic 21.76%
    Fruity 21.05%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.35 (weak base)

    Molecular weight
    299.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Flash point est.
    192.81 ˚C

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • RS9W0RR7AN
    • Fema No. 4722
    • 1190230-47-7
    • 1-(2-hydroxy-4-isobutoxyphenyl)-3-(pyridin-2-yl)propan-1-one
    • UNII-RS9W0RR7AN
    • 1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
    • 1-Propanone, 1-(2-hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-
    • 1-(2-hydroxy-4-isobutoxyphenyl)-3-(pyridine-2-yl)propan-1-one
    • 1-[2-Hydroxy-4-(2-methylpropoxy)phenyl]-3-(2-pyridinyl)-1-propanone
    • 1-(2-hydroxy-4-isobutoxyphenyl)-3-(2-pyridyl)propan-1-one
    • SCHEMBL787535
    • ANKJXSOMEJINDX-UHFFFAOYSA-N
    • DTXSID701019568

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 131.92
    methanol 155.69
    isopropanol 78.07
    water 0.2
    ethyl acetate 273.7
    n-propanol 103.84
    acetone 655.25
    n-butanol 89.22
    acetonitrile 290.12
    DMF 572.18
    toluene 111.12
    isobutanol 75.19
    1,4-dioxane 201.36
    methyl acetate 269.47
    THF 653.39
    2-butanone 368.74
    n-pentanol 69.39
    sec-butanol 81.2
    n-hexane 1.59
    ethylene glycol 35.07
    NMP 424.51
    cyclohexane 3.32
    DMSO 1348.18
    n-butyl acetate 119.0
    n-octanol 16.65
    chloroform 826.43
    n-propyl acetate 120.67
    acetic acid 366.51
    dichloromethane 1020.97
    cyclohexanone 393.7
    propylene glycol 71.47
    isopropyl acetate 128.39
    DMAc 762.07
    2-ethoxyethanol 172.9
    isopentanol 89.82
    n-heptane 1.0
    ethyl formate 136.17
    1,2-dichloroethane 708.83
    n-hexanol 47.13
    2-methoxyethanol 286.89
    isobutyl acetate 75.31
    tetrachloromethane 41.87
    n-pentyl acetate 59.8
    transcutol 770.3
    n-heptanol 22.7
    ethylbenzene 34.47
    MIBK 125.55
    2-propoxyethanol 145.25
    tert-butanol 113.04
    MTBE 102.46
    2-butoxyethanol 80.29
    propionic acid 167.75
    o-xylene 48.39
    formic acid 127.56
    diethyl ether 102.31
    m-xylene 54.3
    p-xylene 46.05
    chlorobenzene 203.29
    dimethyl carbonate 156.33
    n-octane 0.54
    formamide 276.51
    cyclopentanone 578.16
    2-pentanone 239.6
    anisole 117.18
    cyclopentyl methyl ether 182.15
    gamma-butyrolactone 596.57
    1-methoxy-2-propanol 208.9
    pyridine 304.7
    3-pentanone 182.97
    furfural 426.1
    n-dodecane 0.76
    diethylene glycol 142.21
    diisopropyl ether 20.43
    tert-amyl alcohol 101.32
    acetylacetone 357.02
    n-hexadecane 0.92
    acetophenone 136.95
    methyl propionate 245.79
    isopentyl acetate 104.85
    trichloroethylene 1292.98
    n-nonanol 17.64
    cyclohexanol 95.92
    benzyl alcohol 116.9
    2-ethylhexanol 31.18
    isooctanol 21.39
    dipropyl ether 33.83
    1,2-dichlorobenzene 161.81
    ethyl lactate 76.67
    propylene carbonate 266.62
    n-methylformamide 248.11
    2-pentanol 52.56
    n-pentane 1.22
    1-propoxy-2-propanol 98.53
    1-methoxy-2-propyl acetate 156.75
    2-(2-methoxypropoxy) propanol 114.1
    mesitylene 23.54
    ε-caprolactone 289.4
    p-cymene 20.24
    epichlorohydrin 890.46
    1,1,1-trichloroethane 318.91
    2-aminoethanol 75.87
    morpholine-4-carbaldehyde 349.67
    sulfolane 701.82
    2,2,4-trimethylpentane 2.81
    2-methyltetrahydrofuran 274.0
    n-hexyl acetate 76.75
    isooctane 1.66
    2-(2-butoxyethoxy)ethanol 152.97
    sec-butyl acetate 82.24
    tert-butyl acetate 127.41
    decalin 3.36
    glycerin 115.99
    diglyme 312.84
    acrylic acid 189.73
    isopropyl myristate 27.04
    n-butyric acid 201.7
    acetyl acetate 182.17
    di(2-ethylhexyl) phthalate 43.74
    ethyl propionate 107.0
    nitromethane 778.52
    1,2-diethoxyethane 136.38
    benzonitrile 150.42
    trioctyl phosphate 25.86
    1-bromopropane 167.55
    gamma-valerolactone 536.96
    n-decanol 12.86
    triethyl phosphate 52.12
    4-methyl-2-pentanol 35.4
    propionitrile 142.58
    vinylene carbonate 243.91
    1,1,2-trichlorotrifluoroethane 463.4
    DMS 122.11
    cumene 21.63
    2-octanol 13.21
    2-hexanone 127.14
    octyl acetate 38.63
    limonene 28.17
    1,2-dimethoxyethane 238.06
    ethyl orthosilicate 45.61
    tributyl phosphate 38.37
    diacetone alcohol 161.24
    N,N-dimethylaniline 65.55
    acrylonitrile 223.91
    aniline 178.91
    1,3-propanediol 113.32
    bromobenzene 198.94
    dibromomethane 500.91
    1,1,2,2-tetrachloroethane 844.7
    2-methyl-cyclohexyl acetate 72.37
    tetrabutyl urea 49.49
    diisobutyl methanol 19.86
    2-phenylethanol 89.43
    styrene 53.52
    dioctyl adipate 58.92
    dimethyl sulfate 287.19
    ethyl butyrate 86.98
    methyl lactate 136.7
    butyl lactate 67.27
    diethyl carbonate 69.68
    propanediol butyl ether 84.36
    triethyl orthoformate 61.31
    p-tert-butyltoluene 18.29
    methyl 4-tert-butylbenzoate 93.44
    morpholine 296.09
    tert-butylamine 46.79
    n-dodecanol 9.73
    dimethoxymethane 330.8
    ethylene carbonate 191.76
    cyrene 126.03
    2-ethoxyethyl acetate 128.84
    2-ethylhexyl acetate 75.69
    1,2,4-trichlorobenzene 213.47
    4-methylpyridine 311.66
    dibutyl ether 27.48
    2,6-dimethyl-4-heptanol 19.86
    DEF 229.53
    dimethyl isosorbide 191.24
    tetrachloroethylene 390.32
    eugenol 88.78
    triacetin 124.86
    span 80 77.95
    1,4-butanediol 52.48
    1,1-dichloroethane 500.95
    2-methyl-1-pentanol 74.29
    methyl formate 216.51
    2-methyl-1-butanol 85.57
    n-decane 1.19
    butyronitrile 132.42
    3,7-dimethyl-1-octanol 26.08
    1-chlorooctane 11.13
    1-chlorotetradecane 4.4
    n-nonane 0.94
    undecane 0.92
    tert-butylcyclohexane 2.85
    cyclooctane 0.98
    cyclopentanol 111.47
    tetrahydropyran 207.64
    tert-amyl methyl ether 76.47
    2,5,8-trioxanonane 193.58
    1-hexene 15.12
    2-isopropoxyethanol 111.96
    2,2,2-trifluoroethanol 150.32
    methyl butyrate 147.3

    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