Azacridone A

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  • Identifiers

    CAS number
    150050-14-9

    Molecular formula
    C18H16N2O3

    SMILES
    CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CN=C4)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 35.62%
    Sweet 32.2%
    Phenolic 32.02%
    Odorless 29.69%
    Powdery 26.98%
    Animal 25.25%
    Burnt 23.89%
    Musk 23.61%
    Dry 22.77%
    Bitter 22.73%

     

    Flavor
    Bitter 96.01%
    Odorless 20.75%
    Cedarleaf 19.67%
    Very strong 18.97%
    Lovage 18.86%
    Parsley 18.8%
    Indole 18.76%
    Sweet-like 18.5%
    Ripe apricot 18.32%
    Nitrile 18.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.75 (neutral)

    Molecular weight
    308.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    832°C

    Flash point

    • 255.66 ˚C est.

  • Synonyms

    • Azacridone A
    • 6-hydroxy-3,3,12-trimethylchromeno[5,6-b][1,7]naphthyridin-7-one
    • 11-hydroxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5,7-diazatetraphen-10-one
    • 6-hydroxy-3,3,12-trimethylchromeno(5,6-b)(1,7)naphthyridin-7-one
    • RefChem:916566
    • 150050-14-9
    • CHEBI:174947
    • DTXSID801125526
    • 3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-[1]benzopyrano[5,6-b][1,7]naphthyridin-7-one
    • 6-Hydroxy-3,3,12-trimethyl-3,12-dihydro-7H-[1]benzopyrano[5,6-b][1,7]naphthyridin-7-one
    • 150050-14-9

  • Applications

    Azacridone A (CAS 150050-14-9) is primarily used as a synthetic building block for nitrogen-containing heterocycles, enabling the preparation of colorant and pigment precursors for coatings and inks; it is also employed as a building block in polymers/plastics and in organic electronic materials, with potential uses in OLEDs and other polyaromatic electronic devices; in addition, it is commonly evaluated as a research and development intermediate for specialty chemical platforms and functional color systems in the dye and coating sectors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.38
    methanol 1.72
    isopropanol 1.18
    water 0.01
    ethyl acetate 5.53
    n-propanol 1.76
    acetone 5.64
    n-butanol 1.96
    acetonitrile 4.89
    DMF 21.65
    toluene 2.45
    isobutanol 2.08
    1,4-dioxane 8.27
    methyl acetate 7.65
    THF 23.69
    2-butanone 7.76
    n-pentanol 2.06
    sec-butanol 1.17
    n-hexane 0.07
    ethylene glycol 2.21
    NMP 39.65
    cyclohexane 0.16
    DMSO 25.71
    n-butyl acetate 9.04
    n-octanol 1.84
    chloroform 16.28
    n-propyl acetate 7.03
    acetic acid 9.06
    dichloromethane 15.58
    cyclohexanone 21.1
    propylene glycol 1.5
    isopropyl acetate 4.92
    DMAc 45.2
    2-ethoxyethanol 7.89
    isopentanol 3.11
    n-heptane 0.12
    ethyl formate 6.7
    1,2-dichloroethane 10.74
    n-hexanol 3.04
    2-methoxyethanol 14.7
    isobutyl acetate 7.46
    tetrachloromethane 1.8
    n-pentyl acetate 6.96
    transcutol 17.73
    n-heptanol 2.62
    ethylbenzene 1.59
    MIBK 5.9
    2-propoxyethanol 19.15
    tert-butanol 2.05
    MTBE 1.2
    2-butoxyethanol 10.96
    propionic acid 5.41
    o-xylene 1.9
    formic acid 5.96
    diethyl ether 1.12
    m-xylene 2.23
    p-xylene 2.74
    chlorobenzene 5.04
    dimethyl carbonate 8.93
    n-octane 0.08
    formamide 8.09
    cyclopentanone 28.0
    2-pentanone 5.81
    anisole 3.84
    cyclopentyl methyl ether 6.9
    gamma-butyrolactone 33.23
    1-methoxy-2-propanol 9.72
    pyridine 12.51
    3-pentanone 5.01
    furfural 28.0
    n-dodecane 0.13
    diethylene glycol 20.38
    diisopropyl ether 0.7
    tert-amyl alcohol 1.84
    acetylacetone 10.6
    n-hexadecane 0.16
    acetophenone 8.66
    methyl propionate 7.81
    isopentyl acetate 10.7
    trichloroethylene 27.3
    n-nonanol 2.19
    cyclohexanol 3.4
    benzyl alcohol 6.24
    2-ethylhexanol 3.23
    isooctanol 2.77
    dipropyl ether 2.22
    1,2-dichlorobenzene 6.25
    ethyl lactate 7.19
    propylene carbonate 17.47
    n-methylformamide 8.83
    2-pentanol 1.05
    n-pentane 0.05
    1-propoxy-2-propanol 11.32
    1-methoxy-2-propyl acetate 14.37
    2-(2-methoxypropoxy) propanol 12.86
    mesitylene 1.38
    ε-caprolactone 18.72
    p-cymene 2.39
    epichlorohydrin 31.51
    1,1,1-trichloroethane 8.22
    2-aminoethanol 2.78
    morpholine-4-carbaldehyde 31.12
    sulfolane 45.5
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 9.96
    n-hexyl acetate 6.56
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 13.51
    sec-butyl acetate 5.24
    tert-butyl acetate 5.73
    decalin 0.26
    glycerin 6.55
    diglyme 21.8
    acrylic acid 7.76
    isopropyl myristate 3.39
    n-butyric acid 8.01
    acetyl acetate 5.49
    di(2-ethylhexyl) phthalate 7.22
    ethyl propionate 6.52
    nitromethane 21.19
    1,2-diethoxyethane 5.43
    benzonitrile 10.57
    trioctyl phosphate 4.65
    1-bromopropane 3.06
    gamma-valerolactone 37.97
    n-decanol 1.78
    triethyl phosphate 7.21
    4-methyl-2-pentanol 1.68
    propionitrile 5.55
    vinylene carbonate 17.41
    1,1,2-trichlorotrifluoroethane 32.95
    DMS 11.42
    cumene 1.56
    2-octanol 1.53
    2-hexanone 6.54
    octyl acetate 4.57
    limonene 2.51
    1,2-dimethoxyethane 13.21
    ethyl orthosilicate 6.44
    tributyl phosphate 5.8
    diacetone alcohol 10.68
    N,N-dimethylaniline 3.89
    acrylonitrile 9.92
    aniline 5.03
    1,3-propanediol 5.1
    bromobenzene 4.83
    dibromomethane 8.19
    1,1,2,2-tetrachloroethane 19.63
    2-methyl-cyclohexyl acetate 9.78
    tetrabutyl urea 8.16
    diisobutyl methanol 2.17
    2-phenylethanol 9.18
    styrene 1.59
    dioctyl adipate 6.56
    dimethyl sulfate 19.78
    ethyl butyrate 7.15
    methyl lactate 10.06
    butyl lactate 8.08
    diethyl carbonate 6.45
    propanediol butyl ether 7.3
    triethyl orthoformate 6.67
    p-tert-butyltoluene 1.88
    methyl 4-tert-butylbenzoate 10.44
    morpholine 10.52
    tert-butylamine 0.81
    n-dodecanol 1.45
    dimethoxymethane 12.3
    ethylene carbonate 15.01
    cyrene 18.0
    2-ethoxyethyl acetate 11.56
    2-ethylhexyl acetate 8.97
    1,2,4-trichlorobenzene 10.05
    4-methylpyridine 11.57
    dibutyl ether 1.81
    2,6-dimethyl-4-heptanol 2.17
    DEF 9.87
    dimethyl isosorbide 24.91
    tetrachloroethylene 12.08
    eugenol 12.44
    triacetin 10.15
    span 80 8.39
    1,4-butanediol 2.37
    1,1-dichloroethane 5.99
    2-methyl-1-pentanol 3.14
    methyl formate 9.06
    2-methyl-1-butanol 2.6
    n-decane 0.16
    butyronitrile 4.97
    3,7-dimethyl-1-octanol 2.57
    1-chlorooctane 1.04
    1-chlorotetradecane 0.65
    n-nonane 0.11
    undecane 0.14
    tert-butylcyclohexane 0.2
    cyclooctane 0.07
    cyclopentanol 5.0
    tetrahydropyran 5.55
    tert-amyl methyl ether 1.59
    2,5,8-trioxanonane 18.68
    1-hexene 0.4
    2-isopropoxyethanol 6.76
    2,2,2-trifluoroethanol 6.74
    methyl butyrate 9.01

    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