Furo(2,3-c)acridin-6(2H)-one, 2-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methyl-

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  • Identifiers

    CAS number
    136591-55-4

    Molecular formula
    C21H21NO6

    SMILES
    CC(=O)OCC(C)(C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.41%
    Floral 34.02%
    Sweet 31.36%
    Fruity 30.24%
    Grape 30.19%
    Powdery 29.64%
    Musk 26.18%
    Vanilla 26.15%
    Neroli 24.87%
    Milky 23.04%

     

    Flavor
    Bitter 90.04%
    Odorless 31.13%
    Bland 25.43%
    Sweet-like 20.98%
    Mild 19.78%
    Parsley 19.19%
    Cedarleaf 19.14%
    Heather 18.91%
    Orange flower 18.9%
    Broom 18.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.66 (neutral)

    Molecular weight
    383.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    901°C

    Melting point expt.

    • 221 - 223 °C

    Flash point

    • 289.72 ˚C est.

  • Synonyms

    • 136591-55-4
    • Furo[2,3-c]acridin-6(2H)-one, 2-[2-(acetyloxy)-1-hydroxy-1-methylethyl]-1,11-dihydro-5-hydroxy-11-methyl-
    • Furo(2,3-c)acridin-6(2H)-one, 2-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methyl-
    • RefChem:345894
    • Gravacridonediolacetate
    • DTXSID201110715
    • 136591-55-4

  • Applications

    Furo(2,3-c)acridin-6(2H)-one, 2-(2-(acetyloxy)-1-hydroxy-1-methylethyl)-1,11-dihydro-5-hydroxy-11-methyl- (CAS 136591-55-4) is primarily used as an organic-synthesis intermediate, providing a core scaffold for medicinal and agrochemical research. It also serves as a chromophore or dye for coatings, inks, and polymer materials to impart color or fluorescence. The compound has been explored as a fluorescent probe or sensor platform in chemical analysis. In materials science, it can underpin organic electronic or photonic materials based on the fused heteroaromatic framework. Additional potential roles include a starting point in pharmaceutical scaffolds within early-stage drug design, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.25
    methanol 4.82
    isopropanol 1.55
    water 0.03
    ethyl acetate 5.11
    n-propanol 2.08
    acetone 16.75
    n-butanol 1.92
    acetonitrile 7.75
    DMF 39.47
    toluene 0.38
    isobutanol 1.57
    1,4-dioxane 13.02
    methyl acetate 8.73
    THF 35.71
    2-butanone 12.5
    n-pentanol 1.79
    sec-butanol 1.2
    n-hexane 0.01
    ethylene glycol 2.92
    NMP 33.8
    cyclohexane 0.03
    DMSO 97.62
    n-butyl acetate 6.64
    n-octanol 1.99
    chloroform 11.44
    n-propyl acetate 6.8
    acetic acid 26.23
    dichloromethane 9.94
    cyclohexanone 21.26
    propylene glycol 1.62
    isopropyl acetate 3.7
    DMAc 82.9
    2-ethoxyethanol 15.83
    isopentanol 2.43
    n-heptane 0.02
    ethyl formate 8.83
    1,2-dichloroethane 6.21
    n-hexanol 1.45
    2-methoxyethanol 24.92
    isobutyl acetate 5.1
    tetrachloromethane 0.73
    n-pentyl acetate 5.87
    transcutol 18.15
    n-heptanol 2.32
    ethylbenzene 0.38
    MIBK 4.68
    2-propoxyethanol 21.24
    tert-butanol 2.19
    MTBE 0.87
    2-butoxyethanol 14.19
    propionic acid 6.12
    o-xylene 0.38
    formic acid 19.14
    diethyl ether 0.89
    m-xylene 0.33
    p-xylene 0.82
    chlorobenzene 1.46
    dimethyl carbonate 9.09
    n-octane 0.02
    formamide 22.53
    cyclopentanone 33.04
    2-pentanone 6.53
    anisole 2.18
    cyclopentyl methyl ether 2.59
    gamma-butyrolactone 38.2
    1-methoxy-2-propanol 13.36
    pyridine 9.45
    3-pentanone 4.49
    furfural 30.17
    n-dodecane 0.05
    diethylene glycol 24.54
    diisopropyl ether 0.26
    tert-amyl alcohol 1.66
    acetylacetone 13.4
    n-hexadecane 0.06
    acetophenone 6.4
    methyl propionate 6.52
    isopentyl acetate 7.12
    trichloroethylene 18.57
    n-nonanol 2.25
    cyclohexanol 1.65
    benzyl alcohol 4.9
    2-ethylhexanol 1.36
    isooctanol 2.26
    dipropyl ether 1.12
    1,2-dichlorobenzene 2.1
    ethyl lactate 8.02
    propylene carbonate 17.56
    n-methylformamide 17.58
    2-pentanol 0.64
    n-pentane 0.01
    1-propoxy-2-propanol 10.49
    1-methoxy-2-propyl acetate 11.08
    2-(2-methoxypropoxy) propanol 13.34
    mesitylene 0.22
    ε-caprolactone 17.64
    p-cymene 0.59
    epichlorohydrin 36.8
    1,1,1-trichloroethane 3.67
    2-aminoethanol 3.12
    morpholine-4-carbaldehyde 41.6
    sulfolane 52.18
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.88
    n-hexyl acetate 5.8
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 14.09
    sec-butyl acetate 3.41
    tert-butyl acetate 3.73
    decalin 0.05
    glycerin 8.21
    diglyme 27.71
    acrylic acid 9.51
    isopropyl myristate 2.43
    n-butyric acid 8.44
    acetyl acetate 5.94
    di(2-ethylhexyl) phthalate 5.35
    ethyl propionate 5.24
    nitromethane 57.42
    1,2-diethoxyethane 5.32
    benzonitrile 7.06
    trioctyl phosphate 3.84
    1-bromopropane 1.19
    gamma-valerolactone 58.94
    n-decanol 1.57
    triethyl phosphate 4.89
    4-methyl-2-pentanol 0.91
    propionitrile 5.98
    vinylene carbonate 17.25
    1,1,2-trichlorotrifluoroethane 37.1
    DMS 8.02
    cumene 0.37
    2-octanol 1.26
    2-hexanone 7.31
    octyl acetate 3.76
    limonene 0.6
    1,2-dimethoxyethane 28.18
    ethyl orthosilicate 3.68
    tributyl phosphate 4.55
    diacetone alcohol 10.45
    N,N-dimethylaniline 1.78
    acrylonitrile 11.75
    aniline 1.59
    1,3-propanediol 7.8
    bromobenzene 1.13
    dibromomethane 3.7
    1,1,2,2-tetrachloroethane 12.79
    2-methyl-cyclohexyl acetate 5.76
    tetrabutyl urea 7.52
    diisobutyl methanol 0.89
    2-phenylethanol 5.94
    styrene 0.44
    dioctyl adipate 5.47
    dimethyl sulfate 20.39
    ethyl butyrate 4.77
    methyl lactate 10.25
    butyl lactate 8.0
    diethyl carbonate 4.63
    propanediol butyl ether 9.26
    triethyl orthoformate 4.47
    p-tert-butyltoluene 0.44
    methyl 4-tert-butylbenzoate 8.63
    morpholine 14.31
    tert-butylamine 0.46
    n-dodecanol 1.09
    dimethoxymethane 18.45
    ethylene carbonate 15.1
    cyrene 19.63
    2-ethoxyethyl acetate 10.35
    2-ethylhexyl acetate 5.29
    1,2,4-trichlorobenzene 3.64
    4-methylpyridine 6.53
    dibutyl ether 1.39
    2,6-dimethyl-4-heptanol 0.89
    DEF 11.25
    dimethyl isosorbide 21.89
    tetrachloroethylene 7.75
    eugenol 11.78
    triacetin 9.58
    span 80 8.57
    1,4-butanediol 3.61
    1,1-dichloroethane 3.37
    2-methyl-1-pentanol 2.26
    methyl formate 18.56
    2-methyl-1-butanol 1.78
    n-decane 0.07
    butyronitrile 5.27
    3,7-dimethyl-1-octanol 1.81
    1-chlorooctane 0.56
    1-chlorotetradecane 0.27
    n-nonane 0.04
    undecane 0.05
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 2.71
    tetrahydropyran 3.99
    tert-amyl methyl ether 0.87
    2,5,8-trioxanonane 21.23
    1-hexene 0.13
    2-isopropoxyethanol 9.9
    2,2,2-trifluoroethanol 14.72
    methyl butyrate 8.76

    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