Hydroxyphenyl dihydroxyisoindolinone

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  • Identifiers

    CAS number
    1086908-58-8

    Molecular formula
    C14H11NO4

    SMILES
    C1C2=C(C=C(C=C2O)O)C(=O)N1C3=CC=C(C=C3)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.66%
    Phenolic 47.23%
    Burnt 25.96%
    Bitter 25.01%
    Medicinal 21.28%
    Spicy 20.75%
    Savory 19.98%
    Animal 19.87%
    Smoky 19.86%
    Vanilla 19.46%

     

    Flavor
    Bitter 96.95%
    Odorless 26.92%
    Sweet-like 19.91%
    Cedarleaf 19.58%
    Bland 19.41%
    Very strong 19.2%
    Nitrile 19.07%
    Indole 19.02%
    Lovage 18.45%
    Bread crust 17.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.92 (weak base)

    Molecular weight
    257.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    557°C

    Flash point

    • 247.58 ˚C est.

  • Synonyms

    • Clitocybin A
    • Clitocybine A
    • Hydroxyphenyl dihydroxyisoindolinone
    • 1086908-58-8
    • 0I478BV4Y9
    • 1H-Isoindol-1-one, 2,3-dihydro-4,6-dihydroxy-2-(4-hydroxyphenyl)
    • DTXSID90148708
    • 4,6-DIHYDROXY-2-(4-HYDROXYPHENYL)-3H-ISOINDOL-1-ONE
    • RefChem:126991
    • DTXCID3071199
    • UNII-0I478BV4Y9
    • 1h-isoindol-1-one,2,3-dihydro-4,6-dihydroxy-2-(4-hydroxyphenyl)-
    • CHEMBL5563994
    • SCHEMBL13749090
    • SCHEMBL29809717
    • CHEBI:203832
    • 4,6-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-1-one
    • 4,6-dihydroxy-2-p-hydroxyphenyl-isoindol-1-one
    • Q27236807
    • 1086908-58-8

  • Applications

    Hydroxyphenyl dihydroxyisoindolinone (CAS 1086908-58-8) is primarily used as an intermediate in organic synthesis, with potential applications across several industrial sectors. It is commonly evaluated as a building block for dyes and pigments, and as a precursor for specialty polymers and polyimide-type materials. It can function as a chromophore-containing additive or monomer in coatings and inks, and is of interest for electronics and optoelectronic applications as part of organic semiconductor or luminescent material platforms. In pharmaceutical chemistry, it may serve as a synthetic intermediate in heterocyclic ring construction. Use is subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.87
    methanol 1.92
    isopropanol 1.34
    water 0.21
    ethyl acetate 2.48
    n-propanol 0.98
    acetone 2.37
    n-butanol 0.99
    acetonitrile 3.97
    DMF 27.09
    toluene 0.1
    isobutanol 0.54
    1,4-dioxane 10.08
    methyl acetate 4.47
    THF 26.23
    2-butanone 4.11
    n-pentanol 0.68
    sec-butanol 1.12
    n-hexane 0.0
    ethylene glycol 6.24
    NMP 7.29
    cyclohexane 0.0
    DMSO 33.76
    n-butyl acetate 3.48
    n-octanol 1.09
    chloroform 0.06
    n-propyl acetate 2.91
    acetic acid 9.05
    dichloromethane 0.03
    cyclohexanone 4.47
    propylene glycol 4.17
    isopropyl acetate 2.63
    DMAc 65.32
    2-ethoxyethanol 24.29
    isopentanol 1.64
    n-heptane 0.01
    ethyl formate 2.79
    1,2-dichloroethane 0.07
    n-hexanol 0.97
    2-methoxyethanol 51.25
    isobutyl acetate 1.43
    tetrachloromethane 0.05
    n-pentyl acetate 2.06
    transcutol 43.2
    n-heptanol 1.42
    ethylbenzene 0.1
    MIBK 2.84
    2-propoxyethanol 25.76
    tert-butanol 4.02
    MTBE 0.86
    2-butoxyethanol 13.5
    propionic acid 3.22
    o-xylene 0.17
    formic acid 14.22
    diethyl ether 0.35
    m-xylene 0.13
    p-xylene 0.21
    chlorobenzene 0.1
    dimethyl carbonate 6.23
    n-octane 0.01
    formamide 39.69
    cyclopentanone 8.61
    2-pentanone 2.09
    anisole 2.17
    cyclopentyl methyl ether 1.27
    gamma-butyrolactone 14.03
    1-methoxy-2-propanol 27.87
    pyridine 3.11
    3-pentanone 1.14
    furfural 14.01
    n-dodecane 0.02
    diethylene glycol 37.35
    diisopropyl ether 0.18
    tert-amyl alcohol 2.59
    acetylacetone 10.0
    n-hexadecane 0.03
    acetophenone 3.81
    methyl propionate 3.5
    isopentyl acetate 4.1
    trichloroethylene 0.34
    n-nonanol 1.48
    cyclohexanol 0.95
    benzyl alcohol 2.78
    2-ethylhexanol 0.9
    isooctanol 1.4
    dipropyl ether 0.91
    1,2-dichlorobenzene 0.23
    ethyl lactate 6.76
    propylene carbonate 6.49
    n-methylformamide 11.81
    2-pentanol 0.56
    n-pentane 0.0
    1-propoxy-2-propanol 14.76
    1-methoxy-2-propyl acetate 11.74
    2-(2-methoxypropoxy) propanol 17.42
    mesitylene 0.13
    ε-caprolactone 6.32
    p-cymene 0.32
    epichlorohydrin 9.36
    1,1,1-trichloroethane 0.15
    2-aminoethanol 6.71
    morpholine-4-carbaldehyde 29.37
    sulfolane 17.17
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.55
    n-hexyl acetate 2.74
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 22.46
    sec-butyl acetate 2.11
    tert-butyl acetate 5.52
    decalin 0.01
    glycerin 22.14
    diglyme 41.98
    acrylic acid 4.51
    isopropyl myristate 1.84
    n-butyric acid 4.29
    acetyl acetate 3.34
    di(2-ethylhexyl) phthalate 2.86
    ethyl propionate 3.13
    nitromethane 34.87
    1,2-diethoxyethane 6.22
    benzonitrile 2.21
    trioctyl phosphate 2.1
    1-bromopropane 0.03
    gamma-valerolactone 30.38
    n-decanol 1.19
    triethyl phosphate 3.43
    4-methyl-2-pentanol 0.88
    propionitrile 2.65
    vinylene carbonate 5.16
    1,1,2-trichlorotrifluoroethane 16.6
    DMS 4.65
    cumene 0.13
    2-octanol 0.8
    2-hexanone 2.47
    octyl acetate 2.35
    limonene 0.26
    1,2-dimethoxyethane 39.38
    ethyl orthosilicate 3.11
    tributyl phosphate 2.62
    diacetone alcohol 18.62
    N,N-dimethylaniline 1.44
    acrylonitrile 5.43
    aniline 0.83
    1,3-propanediol 13.58
    bromobenzene 0.06
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.49
    2-methyl-cyclohexyl acetate 3.47
    tetrabutyl urea 4.85
    diisobutyl methanol 1.03
    2-phenylethanol 3.75
    styrene 0.1
    dioctyl adipate 3.54
    dimethyl sulfate 12.72
    ethyl butyrate 3.32
    methyl lactate 12.5
    butyl lactate 4.95
    diethyl carbonate 3.29
    propanediol butyl ether 10.33
    triethyl orthoformate 4.22
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 6.58
    morpholine 15.94
    tert-butylamine 0.54
    n-dodecanol 0.92
    dimethoxymethane 17.83
    ethylene carbonate 4.77
    cyrene 13.62
    2-ethoxyethyl acetate 6.21
    2-ethylhexyl acetate 2.48
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 1.88
    dibutyl ether 1.2
    2,6-dimethyl-4-heptanol 1.03
    DEF 5.38
    dimethyl isosorbide 23.61
    tetrachloroethylene 0.31
    eugenol 9.5
    triacetin 6.38
    span 80 8.1
    1,4-butanediol 4.17
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 1.05
    methyl formate 7.88
    2-methyl-1-butanol 0.98
    n-decane 0.03
    butyronitrile 1.6
    3,7-dimethyl-1-octanol 1.58
    1-chlorooctane 0.15
    1-chlorotetradecane 0.12
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.41
    tetrahydropyran 1.39
    tert-amyl methyl ether 0.95
    2,5,8-trioxanonane 34.44
    1-hexene 0.01
    2-isopropoxyethanol 11.52
    2,2,2-trifluoroethanol 6.64
    methyl butyrate 4.16

    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