Oxonantenine

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  • Identifiers

    CAS number
    15358-38-0

    Molecular formula
    C19H13NO5

    SMILES
    COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC5=C(C=C42)OCO5)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 44.54%
    Powdery 38.14%
    Vanilla 37.13%
    Sweet 36.19%
    Spicy 31.11%
    Phenolic 30.55%
    Fruity 29.26%
    Balsamic 26.44%
    Odorless 25.27%
    Musk 25.2%

     

    Flavor
    Bitter 97.65%
    Bland 21.27%
    Cedarleaf 17.73%
    Parsley 17.63%
    Sweet-like 17.39%
    Lovage 16.85%
    Very strong 16.66%
    Indole 16.48%
    Cereal 16.17%
    Ripe apricot 16.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    4.95 (weak acid)

    Molecular weight
    335.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    598°C

    Melting point expt.

    • 297 - 299 °C

    Flash point

    • 255.33 ˚C est.

  • Synonyms

    • Oxonantenine
    • 15358-38-0
    • CHEBI:70651
    • DTXSID00165360
    • Noraprophin-7-one, 4,5,6,6a-tetradehydro-1,2-dimethoxy-9,10-(methylenedioxy)-
    • 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-one
    • 1,2-Dimethoxy-9,10-methylenedioxyoxoaporphine
    • 1,2-dimethoxy-7H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-7-one
    • 1,2-dimethoxy-4,5,6,6a-tetradehydro-9,10-(methylenedioxy)noraprophin-7-one
    • 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0^{2,10}.0^{4,8}.0^{16,20}]icosa-1(19),2,4(8),9,12(20),13,15,17-octaen-11-one
    • 1,2-dimethoxy-7H-benzo(de)(1,3)benzodioxolo(5,6-g)quinolin-7-one
    • 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo(10.7.1.0^(2,10).0^(4,8).0^(16,20))icosa-1(19),2,4(8),9,12(20),13,15,17-octaen-11-one
    • 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo(10.7.1.02,10.04,8.016,20)icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-one
    • RefChem:168986
    • DTXCID1087851
    • CHEMBL1270949
    • orb1739001
    • BDBM50328696
    • Q27138983
    • 1,2-Dimethoxy-7H,10H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-7-one
    • 1,2-Dimethoxy-9,11-dioxa-6-aza-benzo[fg]cyclopenta[b]anthracen-7-one
    • 15358-38-0

  • Applications

    Oxonantenine (CAS 15358-38-0) is primarily used as an intermediate in organic synthesis and can function as a solvent or processing aid in industrial manufacturing. In polymers and plastics, it may act as a stabilizer or processing additive to improve compatibility and performance. In coatings and inks, it is evaluated as a formulation component that can influence rheology and aging behavior, with potential use as a plasticizer where permitted. It also appears as an additive in adhesives and certain cleaning formulations, depending on formulation needs and regulatory constraints. Use is typically limited to regulated industrial contexts or exploratory development, and actual applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.39
    methanol 0.4
    isopropanol 0.36
    water 0.01
    ethyl acetate 4.95
    n-propanol 0.35
    acetone 4.49
    n-butanol 0.42
    acetonitrile 4.17
    DMF 8.84
    toluene 0.85
    isobutanol 0.4
    1,4-dioxane 4.45
    methyl acetate 5.08
    THF 5.12
    2-butanone 3.84
    n-pentanol 0.48
    sec-butanol 0.34
    n-hexane 0.04
    ethylene glycol 0.61
    NMP 14.51
    cyclohexane 0.12
    DMSO 11.24
    n-butyl acetate 5.79
    n-octanol 1.06
    chloroform 5.83
    n-propyl acetate 5.35
    acetic acid 6.17
    dichloromethane 8.07
    cyclohexanone 8.06
    propylene glycol 0.19
    isopropyl acetate 4.17
    DMAc 18.58
    2-ethoxyethanol 3.03
    isopentanol 0.77
    n-heptane 0.11
    ethyl formate 3.7
    1,2-dichloroethane 5.72
    n-hexanol 0.92
    2-methoxyethanol 3.51
    isobutyl acetate 3.73
    tetrachloromethane 1.24
    n-pentyl acetate 5.73
    transcutol 10.84
    n-heptanol 1.29
    ethylbenzene 0.9
    MIBK 3.02
    2-propoxyethanol 5.48
    tert-butanol 0.72
    MTBE 0.76
    2-butoxyethanol 5.3
    propionic acid 2.33
    o-xylene 1.13
    formic acid 4.0
    diethyl ether 1.19
    m-xylene 0.85
    p-xylene 1.52
    chlorobenzene 2.34
    dimethyl carbonate 7.45
    n-octane 0.1
    formamide 7.38
    cyclopentanone 8.73
    2-pentanone 3.13
    anisole 2.66
    cyclopentyl methyl ether 2.13
    gamma-butyrolactone 12.54
    1-methoxy-2-propanol 2.2
    pyridine 5.98
    3-pentanone 3.47
    furfural 15.92
    n-dodecane 0.15
    diethylene glycol 6.77
    diisopropyl ether 0.62
    tert-amyl alcohol 0.68
    acetylacetone 8.81
    n-hexadecane 0.18
    acetophenone 6.44
    methyl propionate 4.74
    isopentyl acetate 6.04
    trichloroethylene 12.71
    n-nonanol 1.38
    cyclohexanol 0.95
    benzyl alcohol 2.68
    2-ethylhexanol 1.39
    isooctanol 1.46
    dipropyl ether 1.88
    1,2-dichlorobenzene 3.92
    ethyl lactate 4.06
    propylene carbonate 8.19
    n-methylformamide 3.87
    2-pentanol 0.36
    n-pentane 0.04
    1-propoxy-2-propanol 3.93
    1-methoxy-2-propyl acetate 8.99
    2-(2-methoxypropoxy) propanol 7.54
    mesitylene 0.71
    ε-caprolactone 8.56
    p-cymene 1.72
    epichlorohydrin 10.81
    1,1,1-trichloroethane 4.08
    2-aminoethanol 0.53
    morpholine-4-carbaldehyde 16.76
    sulfolane 17.03
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 2.7
    n-hexyl acetate 4.88
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 6.88
    sec-butyl acetate 3.82
    tert-butyl acetate 4.33
    decalin 0.17
    glycerin 1.4
    diglyme 16.36
    acrylic acid 4.19
    isopropyl myristate 3.01
    n-butyric acid 2.83
    acetyl acetate 7.16
    di(2-ethylhexyl) phthalate 4.06
    ethyl propionate 5.27
    nitromethane 17.91
    1,2-diethoxyethane 5.43
    benzonitrile 5.24
    trioctyl phosphate 2.96
    1-bromopropane 1.37
    gamma-valerolactone 14.82
    n-decanol 1.13
    triethyl phosphate 5.95
    4-methyl-2-pentanol 0.56
    propionitrile 2.81
    vinylene carbonate 10.69
    1,1,2-trichlorotrifluoroethane 15.59
    DMS 9.24
    cumene 1.0
    2-octanol 0.91
    2-hexanone 3.85
    octyl acetate 3.42
    limonene 1.76
    1,2-dimethoxyethane 8.26
    ethyl orthosilicate 4.92
    tributyl phosphate 3.86
    diacetone alcohol 4.71
    N,N-dimethylaniline 2.65
    acrylonitrile 5.86
    aniline 1.88
    1,3-propanediol 1.09
    bromobenzene 2.29
    dibromomethane 4.01
    1,1,2,2-tetrachloroethane 7.67
    2-methyl-cyclohexyl acetate 6.24
    tetrabutyl urea 5.62
    diisobutyl methanol 1.22
    2-phenylethanol 4.24
    styrene 1.01
    dioctyl adipate 4.95
    dimethyl sulfate 14.06
    ethyl butyrate 6.02
    methyl lactate 3.92
    butyl lactate 4.81
    diethyl carbonate 6.22
    propanediol butyl ether 2.66
    triethyl orthoformate 5.72
    p-tert-butyltoluene 1.33
    methyl 4-tert-butylbenzoate 8.11
    morpholine 3.82
    tert-butylamine 0.37
    n-dodecanol 0.94
    dimethoxymethane 6.05
    ethylene carbonate 8.36
    cyrene 8.77
    2-ethoxyethyl acetate 10.04
    2-ethylhexyl acetate 5.45
    1,2,4-trichlorobenzene 5.15
    4-methylpyridine 4.43
    dibutyl ether 1.96
    2,6-dimethyl-4-heptanol 1.22
    DEF 6.7
    dimethyl isosorbide 14.93
    tetrachloroethylene 7.17
    eugenol 8.94
    triacetin 9.54
    span 80 4.35
    1,4-butanediol 0.62
    1,1-dichloroethane 2.53
    2-methyl-1-pentanol 0.83
    methyl formate 4.86
    2-methyl-1-butanol 0.57
    n-decane 0.23
    butyronitrile 2.0
    3,7-dimethyl-1-octanol 1.38
    1-chlorooctane 0.98
    1-chlorotetradecane 0.58
    n-nonane 0.16
    undecane 0.18
    tert-butylcyclohexane 0.11
    cyclooctane 0.07
    cyclopentanol 0.94
    tetrahydropyran 1.92
    tert-amyl methyl ether 0.94
    2,5,8-trioxanonane 12.93
    1-hexene 0.23
    2-isopropoxyethanol 2.79
    2,2,2-trifluoroethanol 7.36
    methyl butyrate 5.89

    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