5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-2,6-dimethyl-2-(4-methyl-3-oxopentyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    155416-21-0

    Molecular formula
    C20H23NO3

    SMILES
    CC(C)C(=O)CCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 47.04%
    Floral 40.07%
    Grape 31.43%
    Berry 27.22%
    Sweet 26.32%
    Neroli 25.54%
    Woody 25.28%
    Fresh 25.26%
    Dry 24.28%
    Animal 23.85%

     

    Flavor
    Bitter 79.34%
    Cedarleaf 20.0%
    Parsley 19.51%
    Lovage 19.47%
    Heather 19.22%
    Broom 19.18%
    Genet 18.88%
    Ripe apricot 18.59%
    Basil 18.46%
    Red fruit 18.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.17 (neutral)

    Molecular weight
    325.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    604°C

    Flash point

    • 213.91 ˚C est.

  • Synonyms

    • 155416-21-0
    • 5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-2,6-dimethyl-2-(4-methyl-3-oxopentyl)-
    • 5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-2,6-dimethyl-2-(4-methyl-3-oxopentyl)-
    • RefChem:305697
    • Huajiaosimuline
    • DTXSID801132016
    • 2,6-dimethyl-2-(4-methyl-3-oxopentyl)-2H,5H,6H-pyrano[3,2-c]quinolin-5-one
    • 2,6-Dimethyl-2-(4-methyl-3-oxopentyl)-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one
    • 155416-21-0

  • Applications

    Chemical name: 5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-2,6-dimethyl-2-(4-methyl-3-oxopentyl)- CAS number: 155416-21-0 can function as a synthetic intermediate and building block in pharmaceutical research, supporting medicinal-chemistry libraries of heterocyclic scaffolds; it is also considered as a precursor for pigments and colorants used in coatings and inks; in materials science, it may be explored for applications in organic electronics and as a fluorescent component in optoelectronic devices; overall, its typical uses are as an intermediate or chromophore in specialty chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.23
    methanol 40.51
    isopropanol 19.91
    water 0.18
    ethyl acetate 83.65
    n-propanol 30.74
    acetone 85.52
    n-butanol 29.95
    acetonitrile 42.82
    DMF 103.52
    toluene 101.45
    isobutanol 26.6
    1,4-dioxane 148.3
    methyl acetate 108.07
    THF 177.03
    2-butanone 119.0
    n-pentanol 31.8
    sec-butanol 19.14
    n-hexane 0.96
    ethylene glycol 6.2
    NMP 130.62
    cyclohexane 3.97
    DMSO 66.68
    n-butyl acetate 73.23
    n-octanol 12.01
    chloroform 493.7
    n-propyl acetate 71.46
    acetic acid 95.97
    dichloromethane 443.05
    cyclohexanone 177.5
    propylene glycol 6.69
    isopropyl acetate 54.75
    DMAc 237.88
    2-ethoxyethanol 62.32
    isopentanol 34.77
    n-heptane 0.72
    ethyl formate 65.0
    1,2-dichloroethane 206.39
    n-hexanol 29.79
    2-methoxyethanol 64.85
    isobutyl acetate 59.12
    tetrachloromethane 28.35
    n-pentyl acetate 46.93
    transcutol 165.61
    n-heptanol 19.46
    ethylbenzene 36.79
    MIBK 48.26
    2-propoxyethanol 83.22
    tert-butanol 20.0
    MTBE 21.85
    2-butoxyethanol 57.38
    propionic acid 49.63
    o-xylene 41.81
    formic acid 32.01
    diethyl ether 32.34
    m-xylene 41.51
    p-xylene 56.72
    chlorobenzene 130.21
    dimethyl carbonate 53.13
    n-octane 0.61
    formamide 50.11
    cyclopentanone 162.98
    2-pentanone 70.63
    anisole 64.06
    cyclopentyl methyl ether 57.98
    gamma-butyrolactone 172.4
    1-methoxy-2-propanol 42.38
    pyridine 224.99
    3-pentanone 72.88
    furfural 183.49
    n-dodecane 0.88
    diethylene glycol 59.19
    diisopropyl ether 9.06
    tert-amyl alcohol 18.28
    acetylacetone 90.39
    n-hexadecane 1.07
    acetophenone 91.18
    methyl propionate 75.98
    isopentyl acetate 70.13
    trichloroethylene 465.21
    n-nonanol 14.47
    cyclohexanol 37.72
    benzyl alcohol 84.74
    2-ethylhexanol 21.18
    isooctanol 17.81
    dipropyl ether 15.03
    1,2-dichlorobenzene 107.22
    ethyl lactate 33.46
    propylene carbonate 113.48
    n-methylformamide 50.27
    2-pentanol 15.16
    n-pentane 0.85
    1-propoxy-2-propanol 41.7
    1-methoxy-2-propyl acetate 74.37
    2-(2-methoxypropoxy) propanol 53.72
    mesitylene 18.27
    ε-caprolactone 144.98
    p-cymene 18.21
    epichlorohydrin 241.61
    1,1,1-trichloroethane 125.36
    2-aminoethanol 15.59
    morpholine-4-carbaldehyde 162.98
    sulfolane 134.36
    2,2,4-trimethylpentane 1.2
    2-methyltetrahydrofuran 100.96
    n-hexyl acetate 48.74
    isooctane 0.81
    2-(2-butoxyethoxy)ethanol 64.47
    sec-butyl acetate 52.19
    tert-butyl acetate 44.54
    decalin 3.22
    glycerin 15.8
    diglyme 122.73
    acrylic acid 54.42
    isopropyl myristate 20.6
    n-butyric acid 70.12
    acetyl acetate 76.96
    di(2-ethylhexyl) phthalate 36.72
    ethyl propionate 54.35
    nitromethane 131.73
    1,2-diethoxyethane 58.81
    benzonitrile 100.58
    trioctyl phosphate 20.72
    1-bromopropane 68.01
    gamma-valerolactone 236.43
    n-decanol 10.89
    triethyl phosphate 32.26
    4-methyl-2-pentanol 15.0
    propionitrile 50.66
    vinylene carbonate 137.77
    1,1,2-trichlorotrifluoroethane 131.49
    DMS 70.26
    cumene 21.51
    2-octanol 10.78
    2-hexanone 64.47
    octyl acetate 27.92
    limonene 17.61
    1,2-dimethoxyethane 106.09
    ethyl orthosilicate 30.22
    tributyl phosphate 25.98
    diacetone alcohol 46.76
    N,N-dimethylaniline 41.51
    acrylonitrile 69.83
    aniline 92.79
    1,3-propanediol 30.66
    bromobenzene 132.97
    dibromomethane 225.43
    1,1,2,2-tetrachloroethane 291.82
    2-methyl-cyclohexyl acetate 51.84
    tetrabutyl urea 33.34
    diisobutyl methanol 11.59
    2-phenylethanol 72.97
    styrene 48.19
    dioctyl adipate 37.67
    dimethyl sulfate 66.08
    ethyl butyrate 49.16
    methyl lactate 32.69
    butyl lactate 36.56
    diethyl carbonate 43.16
    propanediol butyl ether 31.33
    triethyl orthoformate 36.86
    p-tert-butyltoluene 14.39
    methyl 4-tert-butylbenzoate 53.79
    morpholine 135.14
    tert-butylamine 10.15
    n-dodecanol 8.47
    dimethoxymethane 80.32
    ethylene carbonate 111.54
    cyrene 72.98
    2-ethoxyethyl acetate 83.32
    2-ethylhexyl acetate 58.62
    1,2,4-trichlorobenzene 130.4
    4-methylpyridine 192.66
    dibutyl ether 14.78
    2,6-dimethyl-4-heptanol 11.59
    DEF 78.01
    dimethyl isosorbide 95.71
    tetrachloroethylene 185.87
    eugenol 62.47
    triacetin 63.1
    span 80 41.07
    1,4-butanediol 17.63
    1,1-dichloroethane 150.66
    2-methyl-1-pentanol 40.47
    methyl formate 52.98
    2-methyl-1-butanol 30.86
    n-decane 1.26
    butyronitrile 48.04
    3,7-dimethyl-1-octanol 16.3
    1-chlorooctane 8.22
    1-chlorotetradecane 4.28
    n-nonane 0.91
    undecane 1.02
    tert-butylcyclohexane 2.25
    cyclooctane 0.98
    cyclopentanol 34.28
    tetrahydropyran 101.59
    tert-amyl methyl ether 19.58
    2,5,8-trioxanonane 88.09
    1-hexene 8.03
    2-isopropoxyethanol 52.76
    2,2,2-trifluoroethanol 40.98
    methyl butyrate 72.48

    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