Furo[2,3-c]acridin-6(2H)-one, 1-(9,10-dihydro-1,6-dihydroxy-3,5-dimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-, trans-

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  • Identifiers

    CAS number
    173429-82-8

    Molecular formula
    C36H34N2O11

    SMILES
    CC(C)([C@@H]1[C@H](C2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C5=C(C=C6C(=C5O)C(=O)C7=C(N6C)C(=C(C=C7)O)OC)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.82%
    Phenolic 40.69%
    Vanilla 27.84%
    Burnt 26.47%
    Sweet 26.26%
    Spicy 25.83%
    Powdery 24.98%
    Smoky 24.92%
    Fruity 24.9%
    Dry 24.72%

     

    Flavor
    Bitter 94.9%
    Odorless 29.25%
    Bland 28.63%
    Sweet-like 20.87%
    Cedarleaf 19.72%
    Parsley 19.15%
    Lovage 18.32%
    Eugenol 17.79%
    Very strong 17.79%
    Nitrile 17.77%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    8.5 (weak base)

    Molecular weight
    670.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4513°C

    Flash point

    • 358.89 ˚C est.

  • Synonyms

    • DTXSID201098632
    • 173429-82-8
    • Furo[2,3-c]acridin-6(2H)-one, 1-(9,10-dihydro-1,6-dihydroxy-3,5-dimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-, trans-
    • 173429-82-8

  • Applications

    Typically encountered as a synthetic intermediate for functional heterocyclic systems used in pharmaceuticals and color chemistry; it can serve as a building block for synthesizing acridinone/furoacridinone derivatives and related heterocycles, supporting pharmaceutical development and colorants for coatings and inks. Its hydroxy and methoxy substituents and the fused ring system also make it of interest as a fluorophore or chromophore precursor for research in organic electronics and sensing. It may be evaluated for applications in polymer and materials science to enhance thermal stability and rigidity of heteroaromatic cores. Overall, applications are primarily as an intermediate or precursor in pharmaceutical and color/material development, subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.11
    methanol 7.88
    isopropanol 1.71
    water 0.17
    ethyl acetate 3.79
    n-propanol 2.74
    acetone 8.05
    n-butanol 1.79
    acetonitrile 3.79
    DMF 32.48
    toluene 0.74
    isobutanol 1.54
    1,4-dioxane 8.52
    methyl acetate 7.36
    THF 15.56
    2-butanone 7.77
    n-pentanol 1.61
    sec-butanol 1.55
    n-hexane 0.08
    ethylene glycol 5.38
    NMP 52.5
    cyclohexane 0.11
    DMSO 39.02
    n-butyl acetate 2.84
    n-octanol 0.98
    chloroform 9.62
    n-propyl acetate 3.27
    acetic acid 25.08
    dichloromethane 9.08
    cyclohexanone 11.7
    propylene glycol 3.25
    isopropyl acetate 2.07
    DMAc 40.04
    2-ethoxyethanol 7.67
    isopentanol 1.19
    n-heptane 0.08
    ethyl formate 6.02
    1,2-dichloroethane 5.22
    n-hexanol 1.2
    2-methoxyethanol 13.29
    isobutyl acetate 1.67
    tetrachloromethane 1.45
    n-pentyl acetate 3.02
    transcutol 5.97
    n-heptanol 1.32
    ethylbenzene 0.37
    MIBK 1.75
    2-propoxyethanol 8.55
    tert-butanol 1.31
    MTBE 0.83
    2-butoxyethanol 5.7
    propionic acid 8.65
    o-xylene 0.48
    formic acid 25.41
    diethyl ether 1.57
    m-xylene 0.38
    p-xylene 0.53
    chlorobenzene 1.34
    dimethyl carbonate 8.42
    n-octane 0.06
    formamide 21.33
    cyclopentanone 19.89
    2-pentanone 4.27
    anisole 1.02
    cyclopentyl methyl ether 2.7
    gamma-butyrolactone 30.33
    1-methoxy-2-propanol 7.57
    pyridine 8.25
    3-pentanone 4.27
    furfural 20.27
    n-dodecane 0.05
    diethylene glycol 10.66
    diisopropyl ether 0.25
    tert-amyl alcohol 1.28
    acetylacetone 6.53
    n-hexadecane 0.05
    acetophenone 2.77
    methyl propionate 7.07
    isopentyl acetate 2.03
    trichloroethylene 13.25
    n-nonanol 1.05
    cyclohexanol 1.63
    benzyl alcohol 2.44
    2-ethylhexanol 0.77
    isooctanol 0.95
    dipropyl ether 1.16
    1,2-dichlorobenzene 1.38
    ethyl lactate 4.17
    propylene carbonate 10.49
    n-methylformamide 18.77
    2-pentanol 0.86
    n-pentane 0.08
    1-propoxy-2-propanol 4.71
    1-methoxy-2-propyl acetate 4.88
    2-(2-methoxypropoxy) propanol 4.16
    mesitylene 0.18
    ε-caprolactone 11.05
    p-cymene 0.33
    epichlorohydrin 19.13
    1,1,1-trichloroethane 2.78
    2-aminoethanol 5.04
    morpholine-4-carbaldehyde 30.52
    sulfolane 45.46
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 5.01
    n-hexyl acetate 2.32
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 4.93
    sec-butyl acetate 1.53
    tert-butyl acetate 1.59
    decalin 0.05
    glycerin 10.34
    diglyme 8.54
    acrylic acid 15.62
    isopropyl myristate 0.85
    n-butyric acid 6.29
    acetyl acetate 3.53
    di(2-ethylhexyl) phthalate 1.61
    ethyl propionate 2.81
    nitromethane 36.33
    1,2-diethoxyethane 2.4
    benzonitrile 2.79
    trioctyl phosphate 1.45
    1-bromopropane 1.8
    gamma-valerolactone 36.04
    n-decanol 0.73
    triethyl phosphate 1.77
    4-methyl-2-pentanol 0.47
    propionitrile 3.41
    vinylene carbonate 12.25
    1,1,2-trichlorotrifluoroethane 33.97
    DMS 4.02
    cumene 0.25
    2-octanol 0.75
    2-hexanone 3.58
    octyl acetate 1.5
    limonene 0.42
    1,2-dimethoxyethane 9.4
    ethyl orthosilicate 1.37
    tributyl phosphate 1.45
    diacetone alcohol 4.31
    N,N-dimethylaniline 0.9
    acrylonitrile 7.2
    aniline 1.85
    1,3-propanediol 5.59
    bromobenzene 0.96
    dibromomethane 4.88
    1,1,2,2-tetrachloroethane 9.4
    2-methyl-cyclohexyl acetate 2.04
    tetrabutyl urea 2.42
    diisobutyl methanol 0.36
    2-phenylethanol 2.34
    styrene 0.42
    dioctyl adipate 1.83
    dimethyl sulfate 19.39
    ethyl butyrate 2.19
    methyl lactate 9.43
    butyl lactate 3.81
    diethyl carbonate 1.73
    propanediol butyl ether 4.62
    triethyl orthoformate 1.96
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 2.94
    morpholine 10.47
    tert-butylamine 0.42
    n-dodecanol 0.5
    dimethoxymethane 13.42
    ethylene carbonate 8.81
    cyrene 10.84
    2-ethoxyethyl acetate 5.42
    2-ethylhexyl acetate 1.71
    1,2,4-trichlorobenzene 2.27
    4-methylpyridine 4.55
    dibutyl ether 0.7
    2,6-dimethyl-4-heptanol 0.36
    DEF 8.52
    dimethyl isosorbide 7.86
    tetrachloroethylene 7.55
    eugenol 3.53
    triacetin 4.52
    span 80 3.91
    1,4-butanediol 3.2
    1,1-dichloroethane 3.16
    2-methyl-1-pentanol 1.14
    methyl formate 17.78
    2-methyl-1-butanol 1.34
    n-decane 0.08
    butyronitrile 2.33
    3,7-dimethyl-1-octanol 0.66
    1-chlorooctane 0.37
    1-chlorotetradecane 0.16
    n-nonane 0.07
    undecane 0.06
    tert-butylcyclohexane 0.03
    cyclooctane 0.04
    cyclopentanol 3.16
    tetrahydropyran 3.69
    tert-amyl methyl ether 0.9
    2,5,8-trioxanonane 6.14
    1-hexene 0.34
    2-isopropoxyethanol 4.47
    2,2,2-trifluoroethanol 20.19
    methyl butyrate 3.9

    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