rel-(1R,2S)-1-(9,10-Dihydro-1-hydroxy-3,5,6-trimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methylfuro[2,3-c]acridin-6(2H)-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    169055-79-2

    Molecular formula
    C37H36N2O11

    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)OC)OC)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 39.4%
    Phenolic 39.04%
    Sweet 31.83%
    Vanilla 31.31%
    Powdery 29.06%
    Fruity 27.89%
    Spicy 27.57%
    Dry 25.98%
    Musk 25.82%
    Smoky 25.32%

     

    Flavor
    Bitter 94.99%
    Bland 28.67%
    Odorless 27.29%
    Sweet-like 20.41%
    Cedarleaf 19.55%
    Parsley 19.22%
    Lovage 18.15%
    Eugenol 17.58%
    Red fruit 17.55%
    Ripe apricot 17.54%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.99 (neutral)

    Molecular weight
    684.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4119°C

    Flash point

    • 339.34 ˚C est.

  • Synonyms

    • 169055-79-2
    • rel-(1R,2S)-1-(9,10-Dihydro-1-hydroxy-3,5,6-trimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methylfuro[2,3-c]acridin-6(2H)-one
    • rel-(1R,2S)-1-(9,10-Dihydro-1-hydroxy-3,5,6-trimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methylfuro(2,3-c)acridin-6(2H)-one
    • RefChem:379058
    • DTXSID401098638
    • 169055-79-2

  • Applications

    rel-(1R,2S)-1-(9,10-Dihydro-1-hydroxy-3,5,6-trimethoxy-10-methyl-9-oxo-2-acridinyl)-1,11-dihydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methylfuro[2,3-c]acridin-6(2H)-one (CAS 169055-79-2) is a heterocyclic aromatic compound with potential applications as an intermediate in pharmaceutical synthesis and as a scaffold in medicinal chemistry research. It is commonly evaluated as a dye/pigment precursor for coatings and specialty inks, studied as a fluorescent material or imaging reagent in materials science and analytical chemistry, and can be used as a colorant or UV-absorbing additive in polymer formulations. In electronics and photonics, it is explored as a building block for organic electronic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.03
    methanol 7.29
    isopropanol 1.78
    water 0.2
    ethyl acetate 4.56
    n-propanol 2.87
    acetone 9.91
    n-butanol 1.96
    acetonitrile 4.74
    DMF 31.55
    toluene 1.01
    isobutanol 1.7
    1,4-dioxane 9.69
    methyl acetate 8.98
    THF 15.38
    2-butanone 8.99
    n-pentanol 1.77
    sec-butanol 1.68
    n-hexane 0.09
    ethylene glycol 5.07
    NMP 54.65
    cyclohexane 0.13
    DMSO 36.24
    n-butyl acetate 3.33
    n-octanol 1.1
    chloroform 13.38
    n-propyl acetate 3.82
    acetic acid 27.85
    dichloromethane 12.49
    cyclohexanone 13.89
    propylene glycol 2.97
    isopropyl acetate 2.56
    DMAc 41.89
    2-ethoxyethanol 7.32
    isopentanol 1.37
    n-heptane 0.09
    ethyl formate 6.82
    1,2-dichloroethane 6.96
    n-hexanol 1.34
    2-methoxyethanol 12.17
    isobutyl acetate 2.09
    tetrachloromethane 2.12
    n-pentyl acetate 3.54
    transcutol 6.1
    n-heptanol 1.46
    ethylbenzene 0.48
    MIBK 2.12
    2-propoxyethanol 8.11
    tert-butanol 1.49
    MTBE 0.99
    2-butoxyethanol 5.68
    propionic acid 9.95
    o-xylene 0.66
    formic acid 25.11
    diethyl ether 1.77
    m-xylene 0.52
    p-xylene 0.71
    chlorobenzene 1.97
    dimethyl carbonate 9.97
    n-octane 0.07
    formamide 21.08
    cyclopentanone 22.17
    2-pentanone 4.98
    anisole 1.26
    cyclopentyl methyl ether 3.01
    gamma-butyrolactone 33.03
    1-methoxy-2-propanol 6.94
    pyridine 9.75
    3-pentanone 5.19
    furfural 23.15
    n-dodecane 0.06
    diethylene glycol 9.96
    diisopropyl ether 0.31
    tert-amyl alcohol 1.5
    acetylacetone 8.11
    n-hexadecane 0.06
    acetophenone 3.44
    methyl propionate 8.2
    isopentyl acetate 2.47
    trichloroethylene 17.88
    n-nonanol 1.18
    cyclohexanol 1.92
    benzyl alcohol 2.94
    2-ethylhexanol 0.9
    isooctanol 1.11
    dipropyl ether 1.25
    1,2-dichlorobenzene 2.0
    ethyl lactate 4.48
    propylene carbonate 12.83
    n-methylformamide 18.89
    2-pentanol 0.96
    n-pentane 0.09
    1-propoxy-2-propanol 4.69
    1-methoxy-2-propyl acetate 5.49
    2-(2-methoxypropoxy) propanol 4.4
    mesitylene 0.25
    ε-caprolactone 12.84
    p-cymene 0.42
    epichlorohydrin 21.53
    1,1,1-trichloroethane 4.24
    2-aminoethanol 4.66
    morpholine-4-carbaldehyde 31.49
    sulfolane 48.93
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 5.59
    n-hexyl acetate 2.68
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 4.99
    sec-butyl acetate 1.86
    tert-butyl acetate 2.0
    decalin 0.07
    glycerin 9.24
    diglyme 8.71
    acrylic acid 17.57
    isopropyl myristate 1.01
    n-butyric acid 7.2
    acetyl acetate 4.79
    di(2-ethylhexyl) phthalate 1.98
    ethyl propionate 3.19
    nitromethane 40.7
    1,2-diethoxyethane 2.64
    benzonitrile 3.65
    trioctyl phosphate 1.7
    1-bromopropane 2.26
    gamma-valerolactone 37.33
    n-decanol 0.83
    triethyl phosphate 2.13
    4-methyl-2-pentanol 0.54
    propionitrile 4.02
    vinylene carbonate 15.21
    1,1,2-trichlorotrifluoroethane 37.0
    DMS 5.02
    cumene 0.33
    2-octanol 0.85
    2-hexanone 4.19
    octyl acetate 1.73
    limonene 0.53
    1,2-dimethoxyethane 9.09
    ethyl orthosilicate 1.62
    tributyl phosphate 1.72
    diacetone alcohol 4.77
    N,N-dimethylaniline 1.12
    acrylonitrile 8.36
    aniline 2.34
    1,3-propanediol 5.33
    bromobenzene 1.46
    dibromomethane 6.49
    1,1,2,2-tetrachloroethane 12.56
    2-methyl-cyclohexyl acetate 2.46
    tetrabutyl urea 2.82
    diisobutyl methanol 0.42
    2-phenylethanol 2.79
    styrene 0.57
    dioctyl adipate 2.21
    dimethyl sulfate 22.67
    ethyl butyrate 2.54
    methyl lactate 9.58
    butyl lactate 4.1
    diethyl carbonate 2.08
    propanediol butyl ether 4.69
    triethyl orthoformate 2.21
    p-tert-butyltoluene 0.34
    methyl 4-tert-butylbenzoate 3.51
    morpholine 10.77
    tert-butylamine 0.49
    n-dodecanol 0.57
    dimethoxymethane 13.28
    ethylene carbonate 11.12
    cyrene 11.56
    2-ethoxyethyl acetate 6.31
    2-ethylhexyl acetate 2.08
    1,2,4-trichlorobenzene 3.27
    4-methylpyridine 5.54
    dibutyl ether 0.79
    2,6-dimethyl-4-heptanol 0.42
    DEF 9.64
    dimethyl isosorbide 8.65
    tetrachloroethylene 10.17
    eugenol 4.04
    triacetin 5.47
    span 80 4.12
    1,4-butanediol 3.23
    1,1-dichloroethane 4.32
    2-methyl-1-pentanol 1.33
    methyl formate 18.64
    2-methyl-1-butanol 1.55
    n-decane 0.1
    butyronitrile 2.76
    3,7-dimethyl-1-octanol 0.77
    1-chlorooctane 0.46
    1-chlorotetradecane 0.2
    n-nonane 0.08
    undecane 0.07
    tert-butylcyclohexane 0.04
    cyclooctane 0.05
    cyclopentanol 3.47
    tetrahydropyran 4.1
    tert-amyl methyl ether 1.06
    2,5,8-trioxanonane 6.41
    1-hexene 0.4
    2-isopropoxyethanol 4.54
    2,2,2-trifluoroethanol 23.83
    methyl butyrate 4.48

    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