7H-Pyrano[2,3-c]acridin-7-one, 1,2,3,12-tetrahydro-1,2,6,10-tetrahydroxy-11-methoxy-3,3,12-trimethyl-, trans-(+)-

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  • Identifiers

    CAS number
    161043-20-5

    Molecular formula
    C20H21NO7

    SMILES
    CC1([C@@H]([C@H](C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.37%
    Phenolic 45.93%
    Vanilla 36.92%
    Sweet 34.13%
    Burnt 30.08%
    Smoky 27.56%
    Powdery 25.49%
    Spicy 24.97%
    Creamy 24.3%
    Milky 22.81%

     

    Flavor
    Bitter 89.76%
    Bland 28.42%
    Odorless 28.37%
    Sweet-like 22.57%
    Parsley 20.33%
    Cedarleaf 20.32%
    Eugenol 20.09%
    Lovage 19.12%
    Red fruit 18.99%
    Ripe apricot 18.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.52 (weak base)

    Molecular weight
    387.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1722°C

    Flash point

    • 290.33 ˚C est.

  • Synonyms

    • DTXSID301107294
    • 161043-20-5
    • 7H-Pyrano[2,3-c]acridin-7-one, 1,2,3,12-tetrahydro-1,2,6,10-tetrahydroxy-11-methoxy-3,3,12-trimethyl-, trans-(+)-
    • 161043-20-5

  • Applications

    7H-Pyrano[2,3-c]acridin-7-one, 1,2,3,12-tetrahydro-1,2,6,10-tetrahydroxy-11-methoxy-3,3,12-trimethyl-, trans-(+)- (CAS number: 161043-20-5) may be used as an intermediate in pharmaceutical synthesis and medicinal chemistry, providing a fused heterocyclic scaffold for drug research. It can be evaluated as a chromophore or dye precursor for coatings and inks, and as a functional building block in specialty polymers and plastics. In addition, the fused acridinone framework may be explored for organic electronics and fluorescent materials, where it could serve as a starter or dopant in device formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.02
    methanol 9.2
    isopropanol 2.4
    water 0.07
    ethyl acetate 3.3
    n-propanol 3.54
    acetone 5.15
    n-butanol 2.59
    acetonitrile 2.96
    DMF 36.55
    toluene 0.36
    isobutanol 2.01
    1,4-dioxane 7.61
    methyl acetate 4.27
    THF 19.55
    2-butanone 5.75
    n-pentanol 2.49
    sec-butanol 1.96
    n-hexane 0.09
    ethylene glycol 8.31
    NMP 41.49
    cyclohexane 0.09
    DMSO 64.05
    n-butyl acetate 3.94
    n-octanol 1.83
    chloroform 2.55
    n-propyl acetate 3.43
    acetic acid 18.69
    dichloromethane 3.02
    cyclohexanone 11.52
    propylene glycol 3.91
    isopropyl acetate 2.18
    DMAc 42.46
    2-ethoxyethanol 13.75
    isopentanol 2.22
    n-heptane 0.11
    ethyl formate 4.97
    1,2-dichloroethane 3.04
    n-hexanol 2.75
    2-methoxyethanol 28.79
    isobutyl acetate 2.13
    tetrachloromethane 0.55
    n-pentyl acetate 4.02
    transcutol 14.05
    n-heptanol 2.74
    ethylbenzene 0.35
    MIBK 2.81
    2-propoxyethanol 18.97
    tert-butanol 2.56
    MTBE 0.86
    2-butoxyethanol 11.3
    propionic acid 5.96
    o-xylene 0.39
    formic acid 30.25
    diethyl ether 1.52
    m-xylene 0.38
    p-xylene 0.57
    chlorobenzene 0.65
    dimethyl carbonate 6.46
    n-octane 0.09
    formamide 29.92
    cyclopentanone 18.94
    2-pentanone 4.43
    anisole 1.05
    cyclopentyl methyl ether 3.17
    gamma-butyrolactone 23.94
    1-methoxy-2-propanol 16.26
    pyridine 5.02
    3-pentanone 3.57
    furfural 17.35
    n-dodecane 0.09
    diethylene glycol 29.01
    diisopropyl ether 0.39
    tert-amyl alcohol 1.96
    acetylacetone 6.52
    n-hexadecane 0.1
    acetophenone 3.12
    methyl propionate 5.95
    isopentyl acetate 3.65
    trichloroethylene 5.55
    n-nonanol 2.04
    cyclohexanol 2.42
    benzyl alcohol 2.73
    2-ethylhexanol 1.79
    isooctanol 2.18
    dipropyl ether 1.82
    1,2-dichlorobenzene 1.01
    ethyl lactate 5.65
    propylene carbonate 8.44
    n-methylformamide 20.07
    2-pentanol 1.28
    n-pentane 0.07
    1-propoxy-2-propanol 10.06
    1-methoxy-2-propyl acetate 7.8
    2-(2-methoxypropoxy) propanol 8.81
    mesitylene 0.26
    ε-caprolactone 10.19
    p-cymene 0.65
    epichlorohydrin 16.87
    1,1,1-trichloroethane 1.24
    2-aminoethanol 7.38
    morpholine-4-carbaldehyde 33.25
    sulfolane 44.31
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 4.89
    n-hexyl acetate 3.62
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 11.17
    sec-butyl acetate 1.8
    tert-butyl acetate 2.43
    decalin 0.08
    glycerin 18.41
    diglyme 17.83
    acrylic acid 9.07
    isopropyl myristate 1.66
    n-butyric acid 6.36
    acetyl acetate 2.54
    di(2-ethylhexyl) phthalate 3.41
    ethyl propionate 2.99
    nitromethane 28.33
    1,2-diethoxyethane 4.11
    benzonitrile 2.79
    trioctyl phosphate 2.98
    1-bromopropane 1.01
    gamma-valerolactone 32.48
    n-decanol 1.53
    triethyl phosphate 3.14
    4-methyl-2-pentanol 1.06
    propionitrile 3.55
    vinylene carbonate 8.61
    1,1,2-trichlorotrifluoroethane 26.49
    DMS 5.1
    cumene 0.36
    2-octanol 1.54
    2-hexanone 4.06
    octyl acetate 2.56
    limonene 0.9
    1,2-dimethoxyethane 15.51
    ethyl orthosilicate 2.5
    tributyl phosphate 2.86
    diacetone alcohol 8.53
    N,N-dimethylaniline 1.31
    acrylonitrile 6.7
    aniline 1.29
    1,3-propanediol 10.78
    bromobenzene 0.47
    dibromomethane 1.69
    1,1,2,2-tetrachloroethane 4.66
    2-methyl-cyclohexyl acetate 3.53
    tetrabutyl urea 4.91
    diisobutyl methanol 1.11
    2-phenylethanol 4.05
    styrene 0.32
    dioctyl adipate 3.36
    dimethyl sulfate 16.36
    ethyl butyrate 3.11
    methyl lactate 11.4
    butyl lactate 5.35
    diethyl carbonate 2.52
    propanediol butyl ether 7.97
    triethyl orthoformate 3.09
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 5.9
    morpholine 11.59
    tert-butylamine 0.75
    n-dodecanol 1.13
    dimethoxymethane 17.51
    ethylene carbonate 7.24
    cyrene 14.6
    2-ethoxyethyl acetate 6.78
    2-ethylhexyl acetate 2.97
    1,2,4-trichlorobenzene 1.6
    4-methylpyridine 3.09
    dibutyl ether 1.2
    2,6-dimethyl-4-heptanol 1.11
    DEF 9.07
    dimethyl isosorbide 15.01
    tetrachloroethylene 4.07
    eugenol 7.17
    triacetin 6.16
    span 80 7.04
    1,4-butanediol 4.93
    1,1-dichloroethane 1.29
    2-methyl-1-pentanol 2.08
    methyl formate 15.67
    2-methyl-1-butanol 2.01
    n-decane 0.14
    butyronitrile 2.67
    3,7-dimethyl-1-octanol 1.46
    1-chlorooctane 0.61
    1-chlorotetradecane 0.31
    n-nonane 0.12
    undecane 0.11
    tert-butylcyclohexane 0.07
    cyclooctane 0.05
    cyclopentanol 3.71
    tetrahydropyran 3.28
    tert-amyl methyl ether 1.06
    2,5,8-trioxanonane 14.26
    1-hexene 0.36
    2-isopropoxyethanol 7.78
    2,2,2-trifluoroethanol 12.76
    methyl butyrate 4.54

    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