rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one

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  • Identifiers

    CAS number
    173429-81-7

    Molecular formula
    C40H38N2O11

    SMILES
    CC1(C=CC2=C3C(=C(C(=C2O1)[C@@H]4[C@H](OC5=C4C6=C(C(=C5)O)C(=O)C7=C(N6C)C(=C(C=C7)O)OC)C(C)(C)O)O)C(=O)C8=C(N3C)C(=C(C=C8)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.85%
    Phenolic 38.76%
    Sweet 27.78%
    Fruity 26.91%
    Powdery 26.38%
    Spicy 26.19%
    Vanilla 25.95%
    Musk 25.66%
    Dry 25.59%
    Burnt 24.51%

     

    Flavor
    Bitter 95.6%
    Bland 26.67%
    Odorless 26.24%
    Sweet-like 20.2%
    Cedarleaf 19.64%
    Parsley 18.99%
    Lovage 18.2%
    Red fruit 17.69%
    Ripe apricot 17.67%
    Very strong 17.63%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    6.3

    pKa est.
    8.41 (weak base)

    Molecular weight
    722.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5276°C

    Flash point

    • 346.89 ˚C est.

  • Synonyms

    • DTXSID401098240
    • 173429-81-7
    • rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one
    • 173429-81-7

  • Applications

    Rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one (CAS 173429-81-7) is primarily used as an advanced synthetic intermediate in pharmaceutical research for acridino/acridin-type frameworks. It is also evaluated as a dye and colorant for coatings and inks due to its extended polycyclic chromophore. In polymer and materials science, it can serve as a specialty dye/additive to tune optical properties in plastics and coatings. In electronics-related applications, it is explored for potential use in organic electronic materials such as OLEDs and photovoltaics. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.24
    methanol 11.76
    isopropanol 2.26
    water 0.08
    ethyl acetate 7.44
    n-propanol 4.08
    acetone 12.14
    n-butanol 2.59
    acetonitrile 6.84
    DMF 53.74
    toluene 1.36
    isobutanol 2.29
    1,4-dioxane 11.5
    methyl acetate 13.88
    THF 23.42
    2-butanone 13.35
    n-pentanol 2.26
    sec-butanol 2.31
    n-hexane 0.09
    ethylene glycol 6.31
    NMP 88.63
    cyclohexane 0.13
    DMSO 52.79
    n-butyl acetate 5.36
    n-octanol 1.41
    chloroform 24.8
    n-propyl acetate 6.14
    acetic acid 51.74
    dichloromethane 21.86
    cyclohexanone 18.79
    propylene glycol 5.55
    isopropyl acetate 4.03
    DMAc 65.72
    2-ethoxyethanol 11.45
    isopentanol 1.78
    n-heptane 0.1
    ethyl formate 10.59
    1,2-dichloroethane 10.49
    n-hexanol 1.57
    2-methoxyethanol 21.22
    isobutyl acetate 3.26
    tetrachloromethane 2.56
    n-pentyl acetate 5.08
    transcutol 10.27
    n-heptanol 1.74
    ethylbenzene 0.66
    MIBK 3.29
    2-propoxyethanol 13.64
    tert-butanol 1.88
    MTBE 1.38
    2-butoxyethanol 8.8
    propionic acid 16.28
    o-xylene 0.84
    formic acid 36.34
    diethyl ether 2.37
    m-xylene 0.71
    p-xylene 0.93
    chlorobenzene 2.98
    dimethyl carbonate 15.51
    n-octane 0.06
    formamide 30.25
    cyclopentanone 32.93
    2-pentanone 7.48
    anisole 2.04
    cyclopentyl methyl ether 4.36
    gamma-butyrolactone 53.83
    1-methoxy-2-propanol 13.09
    pyridine 13.94
    3-pentanone 7.19
    furfural 37.19
    n-dodecane 0.06
    diethylene glycol 14.97
    diisopropyl ether 0.4
    tert-amyl alcohol 2.02
    acetylacetone 12.4
    n-hexadecane 0.07
    acetophenone 5.34
    methyl propionate 13.59
    isopentyl acetate 3.83
    trichloroethylene 33.35
    n-nonanol 1.49
    cyclohexanol 2.43
    benzyl alcohol 4.24
    2-ethylhexanol 1.17
    isooctanol 1.42
    dipropyl ether 1.82
    1,2-dichlorobenzene 3.14
    ethyl lactate 7.73
    propylene carbonate 21.61
    n-methylformamide 31.91
    2-pentanol 1.27
    n-pentane 0.1
    1-propoxy-2-propanol 8.32
    1-methoxy-2-propyl acetate 9.34
    2-(2-methoxypropoxy) propanol 7.16
    mesitylene 0.33
    ε-caprolactone 19.86
    p-cymene 0.54
    epichlorohydrin 37.97
    1,1,1-trichloroethane 7.08
    2-aminoethanol 6.92
    morpholine-4-carbaldehyde 54.33
    sulfolane 80.68
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 7.67
    n-hexyl acetate 4.17
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 7.93
    sec-butyl acetate 2.93
    tert-butyl acetate 2.95
    decalin 0.08
    glycerin 15.68
    diglyme 13.87
    acrylic acid 27.81
    isopropyl myristate 1.42
    n-butyric acid 12.25
    acetyl acetate 7.73
    di(2-ethylhexyl) phthalate 2.83
    ethyl propionate 5.48
    nitromethane 73.46
    1,2-diethoxyethane 3.59
    benzonitrile 5.67
    trioctyl phosphate 2.32
    1-bromopropane 3.15
    gamma-valerolactone 64.97
    n-decanol 1.04
    triethyl phosphate 3.17
    4-methyl-2-pentanol 0.75
    propionitrile 6.15
    vinylene carbonate 25.31
    1,1,2-trichlorotrifluoroethane 63.79
    DMS 7.47
    cumene 0.43
    2-octanol 1.07
    2-hexanone 5.9
    octyl acetate 2.46
    limonene 0.68
    1,2-dimethoxyethane 14.22
    ethyl orthosilicate 2.39
    tributyl phosphate 2.43
    diacetone alcohol 7.47
    N,N-dimethylaniline 1.7
    acrylonitrile 13.42
    aniline 3.42
    1,3-propanediol 7.88
    bromobenzene 2.37
    dibromomethane 9.81
    1,1,2,2-tetrachloroethane 22.36
    2-methyl-cyclohexyl acetate 3.62
    tetrabutyl urea 3.77
    diisobutyl methanol 0.54
    2-phenylethanol 3.95
    styrene 0.81
    dioctyl adipate 3.17
    dimethyl sulfate 35.39
    ethyl butyrate 4.26
    methyl lactate 18.07
    butyl lactate 6.94
    diethyl carbonate 3.38
    propanediol butyl ether 7.67
    triethyl orthoformate 3.47
    p-tert-butyltoluene 0.45
    methyl 4-tert-butylbenzoate 5.41
    morpholine 15.39
    tert-butylamine 0.6
    n-dodecanol 0.71
    dimethoxymethane 20.99
    ethylene carbonate 17.83
    cyrene 17.43
    2-ethoxyethyl acetate 9.29
    2-ethylhexyl acetate 3.2
    1,2,4-trichlorobenzene 5.38
    4-methylpyridine 8.75
    dibutyl ether 1.08
    2,6-dimethyl-4-heptanol 0.54
    DEF 13.78
    dimethyl isosorbide 13.97
    tetrachloroethylene 14.47
    eugenol 6.17
    triacetin 8.94
    span 80 6.61
    1,4-butanediol 4.05
    1,1-dichloroethane 7.4
    2-methyl-1-pentanol 1.72
    methyl formate 30.02
    2-methyl-1-butanol 2.04
    n-decane 0.11
    butyronitrile 4.32
    3,7-dimethyl-1-octanol 1.07
    1-chlorooctane 0.6
    1-chlorotetradecane 0.25
    n-nonane 0.09
    undecane 0.08
    tert-butylcyclohexane 0.05
    cyclooctane 0.05
    cyclopentanol 4.7
    tetrahydropyran 5.25
    tert-amyl methyl ether 1.58
    2,5,8-trioxanonane 9.48
    1-hexene 0.48
    2-isopropoxyethanol 6.67
    2,2,2-trifluoroethanol 29.1
    methyl butyrate 7.79

    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